Adenosine Triphosphate
PubChem CID: 5957
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| Compound Synonyms | Adenosine triphosphate, 56-65-5, Adenosine 5'-triphosphate, ATP, Triphosphaden, Atriphos, Myotriphos, Striadyne, Triadenyl, adenosine-5'-triphosphate, Glucobasin, Adephos, Adetol, Adynol, Atipi, Adenosine 5'-(tetrahydrogen triphosphate), Triphosaden, 5'-Atp, Adenylpyrophosphoric acid, Adenosine 5'-triphosphoric acid, Triphosphoric acid adenosine ester, ATP (nucleotide), Cardenosine, Fosfobion, Adenosintriphosphorsaeure, Phosphobion, Ado-5'-P-P-P, adenylpyrophosphate, adenosine-triphosphate, Ara-ATP, 9-beta-D-Arabinofuranosyladenine 5'-triphosphate, Adenosine, 5'-(tetrahydrogen triphosphate), H4atp, EINECS 200-283-2, Adenylpyrophosphorate, 8L70Q75FXE, DTXSID6022559, CHEBI:15422, adenosine 5' triphosphate, Adenosine 5'-triphosphorate, CHEMBL14249, DTXCID302559, ((2R,3S,4R,5R)-5-(6-Amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl)methyl tetrahydrogen triphosphate, [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate, ADENOSINE TRIPHOSPHATE [MI], ADENOSINE TRIPHOSPHATE [VANDF], ADENOSINE TRIPHOSPHATE [MART.], ADENOSINE TRIPHOSPHATE [WHO-DD], NCGC00163309-01, 5'-(tetrahydrogen triphosphate) Adenosine, 3-Methylbenzo[d]thiazol-3-iuM chloride, ({[({[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)phosphonic acid, 126339-06-8, MFCD00065467, ADENOSINE TRIPHOSPHATE (MART.), C10H16N5O13P3, 119439-06-4, UNII-8L70Q75FXE, adenosine-5'-triphosphoric acid, 1kxp, 1mau, 1maw, 1vjc, 1vjd, 1xsc, 1yid, 2cbz, 2fgh, Triphosadenine (DCF), 1gz3, 1gz4, 1r0x, 1y8p, BDBM2, 3h-adenosine triphosphate, -beta-D-ribofuranosyl]-, Adenosine triphosphic acid, Adenosine triphosphate/ATP, bmse000006, bmse000854, bmse000993, Epitope ID:135612, SCHEMBL8979, GTPL1713, MSK1534D9, 1b38, 1b39, 1m83, 1r10, 1t44, Bio1_000406, Bio1_000895, Bio1_001384, HY-B2176, Tox21_112044, ADENOSINE TRIPHOSPHATE [INCI], BDBM50366480, s5260, AKOS022179934, CS-7674, DB00171, CAS-56-65-5, Adenosine 5'-triphosphate, Triphosphaden, [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] phosphono hydrogen phosphate, AC-32151, Adenosine-5'-(tetrahydrogen triphosphate), AS-19204, DB-022415, NS00074063, C00002, D08646, D70159, Q80863, SBI-0635025.0002, EN300-1073142, BRD-A31990649-304-02-3, BRD-A31990649-304-03-1, A9788C43-4BC5-46E2-8560-41C5FA7D3AA3, 9H-purin-6-amine, 9-[5-O-[hydroxy[[hydroxy(phosphonooxy)phosphinyl]oxy]phosphinyl], L-Carnitine-d9, Adenosine triphosphate, Adenosine 5'-triphosphate, ATP, Triphosphaden, [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl (hydroxy-phosphonooxyphosphoryl) hydrogen phosphate, [[[(2R,3S,4R,5R)-5-(6-Aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxyphosphonic acid, 200-283-2, 9H-Purin-6-amine, 9-[5-O-[hydroxy[[hydroxy(phosphonooxy)phosphinyl]oxy]phosphinyl]-.beta.-D-ribofuranosyl]- |
|---|---|
| Topological Polar Surface Area | 279.0 |
| Hydrogen Bond Donor Count | 7.0 |
| Heavy Atom Count | 31.0 |
| Description | Adenosine triphosphate, also known as atp or atriphos, is a member of the class of compounds known as purine ribonucleoside triphosphates. Purine ribonucleoside triphosphates are purine ribobucleotides with a triphosphate group linked to the ribose moiety. Adenosine triphosphate is slightly soluble (in water) and an extremely strong acidic compound (based on its pKa). Adenosine triphosphate can be found in a number of food items such as lichee, alpine sweetvetch, pecan nut, and black mulberry, which makes adenosine triphosphate a potential biomarker for the consumption of these food products. Adenosine triphosphate can be found primarily in blood, cellular cytoplasm, cerebrospinal fluid (CSF), and saliva, as well as throughout most human tissues. Adenosine triphosphate exists in all living species, ranging from bacteria to humans. In humans, adenosine triphosphate is involved in several metabolic pathways, some of which include phosphatidylethanolamine biosynthesis PE(16:0/18:4(6Z,9Z,12Z,15Z)), carteolol action pathway, phosphatidylethanolamine biosynthesis PE(20:3(5Z,8Z,11Z)/15:0), and carfentanil action pathway. Adenosine triphosphate is also involved in several metabolic disorders, some of which include lysosomal acid lipase deficiency (wolman disease), phosphoenolpyruvate carboxykinase deficiency 1 (PEPCK1), propionic acidemia, and the oncogenic action of d-2-hydroxyglutarate in hydroxygluaricaciduria. Moreover, adenosine triphosphate is found to be associated with rachialgia, neuroinfection, stroke, and subarachnoid hemorrhage. Adenosine triphosphate is a non-carcinogenic (not listed by IARC) potentially toxic compound. Adenosine triphosphate is a drug which is used for nutritional supplementation, also for treating dietary shortage or imbalanc. Adenosine triphosphate (ATP) is a complex organic chemical that participates in many processes. Found in all forms of life, ATP is often referred to as the "molecular unit of currency" of intracellular energy transfer. When consumed in metabolic processes, it converts to either the di- or monophosphates, respectively ADP and AMP. Other processes regenerate ATP such that the human body recycles its own body weight equivalent in ATP each day. It is also a precursor to DNA and RNA . ATP is able to store and transport chemical energy within cells. ATP also plays an important role in the synthesis of nucleic acids. ATP can be produced by various cellular processes, most typically in mitochondria by oxidative phosphorylation under the catalytic influence of ATP synthase. The total quantity of ATP in the human body is about 0.1 mole. The energy used by human cells requires the hydrolysis of 200 to 300 moles of ATP daily. This means that each ATP molecule is recycled 2000 to 3000 times during a single day. ATP cannot be stored, hence its consumption must closely follow its synthesis (DrugBank). Metabolism of organophosphates occurs principally by oxidation, by hydrolysis via esterases and by reaction with glutathione. Demethylation and glucuronidation may also occur. Oxidation of organophosphorus pesticides may result in moderately toxic products. In general, phosphorothioates are not directly toxic but require oxidative metabolism to the proximal toxin. The glutathione transferase reactions produce products that are, in most cases, of low toxicity. Paraoxonase (PON1) is a key enzyme in the metabolism of organophosphates. PON1 can inactivate some organophosphates through hydrolysis. PON1 hydrolyzes the active metabolites in several organophosphates insecticides as well as, nerve agents such as soman, sarin, and VX. The presence of PON1 polymorphisms causes there to be different enzyme levels and catalytic efficiency of this esterase, which in turn suggests that different individuals may be more susceptible to the toxic effect of organophosphate exposure (T3DB). |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 800.0 |
| Database Name | cmaup_ingredients;fooddb_chem_all;hmdb_chem_all;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 4.0 |
| Uniprot Id | P30085, P27707, P53396, O00763, P11498, Q9NR19, Q9NUB1, Q13085, P23919, P49961, Q8WVQ1, O75355, Q15166, Q9HA47, O00746, P23921, P15531, Q9Y5B8, P31350, P22392, Q13232, O75414, P35557, P52790, P52789, P19367, P52824, P23743, Q16760, Q9Y6T7, O75912, Q13574, Q8N0W3, P05166, P05165, Q9Y285, O95363, P49419, P22102, Q9Y223, P51606, Q9HAN9, Q96T66, Q9BZQ4, O43252, O95340, P31327, P31153, Q00266, Q9BY32, Q9HCC0, P50747, Q96RQ3, P48506, Q9NSD9, P49459, P00568, P61081, O14933, P41250, P21108, P07814, O60488, P51668, P23381, P33121, P62253, P47897, P26639, P08243, Q96LR5, P27144, P62837, P49917, P54136, P49915, Q969T4, P63146, Q15031, Q8N2K1, P68036, O00442, Q96M32, P54577, P49916, P14868, P61077, O43776, Q15046, P41252, P22314, Q9Y2Z4, P51965, P50583, Q9UKU0, P56192, P49588, Q9UGM6, P60891, Q9NP81, P11908, Q9H3S4, P63279, P55263, P49590, Q9Y385, Q9ULC5, P12081, P49591, O95573, Q9P2J5, O00762, P26640, Q9Y6K8, P49903, P61088, P00966, Q99611, P18858, P15104, P17812, P51828, Q8NFM4, O43306, O95622, P40145, O60503, O60266, Q08828, P17540, P12277, P12532, P06732, Q01813, P05423, P30876, P24928, O00411, Q9H9Y6, O15318, Q9NW08, Q9GZS1, P17858, Q9Y535, Q9Y2Y1, P08237, P14618, P30613, Q16854, Q9Y259, P35790, P48637, Q16875, Q16877, P16118, O60825, Q14410, P32189, Q05932, O15067, P54886, O14841, Q9HBU6, P53597, P22234, O95544, Q08462, P11586, Q16774, Q9P2R7, P27987, P23677, Q96EY8, P53602, Q15126, Q9NVE7, Q9BZ23, Q8TE04, Q9H999, Q9UJ70, Q03426, O00764, Q969G6, P51003, Q9BWT3, Q9NYA1, Q9NRA0, Q9H477, Q13976, Q13237, Q9Y2H9, Q8NB49, P98196, Q9BVS4, Q13233, P53778, Q00526, O75747, Q01415, Q8IVH8, Q99759, O00329, O43293, P42681, Q08345, P12931, Q9Y572, Q16620, Q13705, Q9UIK4, Q16720, P04049, P51957, Q8NEV4, Q04912, P35916, P49841, O75449, Q9HAZ1, Q96LB4, P21860, P54756, O60312, Q15118, Q15131, Q96PY6, Q04771, Q99558, Q01974, P27448, P17252, Q13308, O43683, Q15208, P54762, O75348, P08069, P36888, P28482, P49336, O43520, Q16816, O60674, Q9UPZ9, Q8IW41, Q16513, P54709, P20020, Q14680, P48426, Q13164, P50053, P56381, P22612, P42338, P36894, O76039, P30291, Q9H1R3, Q00537, P30049, Q13882, Q9BXM7, Q06418, P10398, O75110, P37023, Q9UM73, P14415, O00238, Q01814, O75676, P05026, P07947, Q13315, Q9Y463, P22455, Q9HBH9, P42336, P37173, P51813, Q9P241, Q86V86, P57058, Q9Y2H1, Q96L34, Q9BX84, P14616, P29317, O96017, P49759, Q93084, P08631, P21283, O00141, Q9H422, P25098, P27361, Q9HC98, Q16832, O94804, O96013, Q14004, O60285, Q99986, P11309, P35968, O95670, P48047, Q9Y2I7, Q8IWQ3, Q9P0L2, Q9P1W9, P51956, Q05397, P18859, Q15418, Q96T60, Q8TDR2, Q8NFU5, Q13523, P36897, O00444, Q13470, P35626, Q9NYV4, P15313, Q96NX5, P54760, P49760, Q8TD19, P54707, O14920, P45984, P21802, Q9HBG4, Q13535, P23458, Q9UN42, P07333, P03928, Q8N5S9, O14965, P00540, P31751, Q92630, P06241, Q86Y07, P78527, Q15375, O15264, P42684, O75385, Q12866, Q9H4B4, O43318, Q15759, O14578, P56385, Q9HBY8, P51955, Q96S44, P38606, P36542, P20794, P21709, Q96RR4, P23634, P61421, Q07912, P17612, Q6SA08, P78356, P16234, P06239, P52333, Q9Y2Q0, P50750, O15146, P22607, Q9Y243, P45985, P29320, P42680, Q02779, P05771, Q05513, P29597, Q15303, Q9UK32, Q99640, P51570, Q16566, P49840, Q12852, P05023, P50613, P09769, P48736, Q12851, P98194, P15735, Q00535, O43930, P21281, P00519, P11802, Q86Z02, Q8TCT0, Q9NRM7, P36896, P49914, P42356, Q96PN8, Q9BRS2, P13637, Q15746, Q15835, P24539, Q06187, Q96GD4, O75716, P46459, Q14289, P23443, Q9Y4K4, P54764, O15530, Q9UEW8, Q8TDX7, P68400, Q9NYY3, P09619, P41743, P51451, Q86UE8, Q00532, P51812, P51164, Q9Y6R4, P35590, P25705, Q6P0Q8, O60566, O43861, P34925, Q13464, P00533, P20648, Q13418, Q13873, P17948, Q8TF62, Q9Y5L3, P06576, Q13557, Q15139, P04626, O14757, P19784, Q8TDC3, P42685, P05129, P08922, P27449, Q9BUB5, Q9BWU1, Q9Y2G3, O15342, Q08881, Q07002, O60423, Q13043, O75582, Q86SG6, P07332, O95819, P16591, Q6J9G0, P51817, O95835, Q7KZI7, P07205, O43353, O75947, P54753, Q15120, Q9H3Y6, P10721, P53350, P43403, Q16539, O94768, O75116, P27037, Q96QT4, P06213, P21127, Q16671, Q8N568, P07949, Q16659, P00558, Q9UEE5, Q15831, Q16512, P56134, P53779, P50993, P45983, P29323, P53667, P11801, Q05655, O94806, Q04759, P24723, Q02156, Q13057, Q13131, P54646, O14975, O75879, P11274, O95396, O15111, P13569, Q96PU5, P08107, Q00987, Q3LXA3, Q9BZX2, P15056, P35670, Q04656, O75191, P46734, Q9NQX3, P49137, Q14654, Q14409, Q9Y487, Q9HAB8, Q9Y2P5, P48201, O00443, Q13733, Q96DU7, Q6IA69, P05496, O60331, P27708, Q9UBF8, P04183, O00142, Q9NZL9, Q8NEB9, Q9UI12, Q9Y5K8, Q8N8Y2, Q96A05, Q8NEY4, P54819, Q9NRF8, Q8TBX8, Q9NWW6, Q86V21, Q9NVF9, Q96PN6, Q08AH1, Q86XP1, Q6NVY1, Q9UHJ6, Q9BZL6, P98198, Q5T160, Q9HA77, Q9Y230, Q6UB35, Q7Z650, A8YXX4, Q5JPH6, Q8IVS8, Q13572, Q4L235, Q96FY7, Q7LG56, Q5EBM0, Q9NWZ5, Q8NFF5, Q5ST30, P46100, P22681, Q9ULV8, Q5MY95, Q5TCY1, O95747, Q9H4A3, Q6P461, Q15751, Q38SD2, Q6DT37, Q9NTK5, Q13153, Q9BQI3, O95714, Q16656, Q08AH3, Q68CK6, Q53FZ2, Q6NUN0, Q8NER5, P54132, Q9UQ88, O14936, Q09013, O43781, Q9NR20, P18074, O75460, Q76MJ5, Q6PIW4, Q13283, Q8NG08, P51617, Q9Y616, Q16584, O43283, Q9Y2U5, Q99683, O95382, P80192, O60307, O15021, Q8N4C8, Q9NYL2, Q13163, O14733, Q9P289, Q32MK0, O60361, Q8NG66, Q6P3R8, Q9H093, P46063, Q9NRH2, Q96SB4, P78362, Q8WU08, Q9NY57, Q86UX6, Q9NRP7, Q8IYB8, Q15569, Q96Q11, Q9BXA6, Q8NG68, Q9BYP7, Q14191, P19525, A5YM72, Q99570, Q8IXN7, Q9ULI2, Q9NPI5, P0C7M7, Q5T6J7, Q8IZR3, A2RTX5, Q9BW92, Q96GW9, Q6PI48, P49589, Q6IBR2, Q96I59, Q9UBT2, Q7Z6Z7, Q9NS56, Q9UNE7, O95155, O60337, Q9H0M0, O00308, Q86UD3, Q969M7, Q5VVX9, Q8NA82, Q8IWV7, Q5T0T0, Q8NHG8, Q13049, O75592, O60291, Q8IWV8, Q5T4S7, Q9UKV5, Q16763, Q9UMS4, Q8WY64, Q96T88, Q5JXB2, O15344, P46934, O95628, Q9P0N8, O95071, Q9UPN9, Q9NX47, Q712K3, Q8TCQ1, Q9NW38, A0AVT1, Q96B02, Q29SN7, Q96EP1, Q5VTR2, Q9NS91, Q9HCE7, Q9NR09, Q9P2E8, Q9NPC3, Q99942, Q9C0C9, A2A322, Q05CT6, Q9HAU4, Q8IUQ4, O43255, Q9H992, Q9H832, P41226, A4D1L5, Q05086, Q8TEB7, Q96F44, Q59H81, Q86TM6, Q969Q1, Q8TBB1, Q8ND25, Q9C035, Q7Z3V4, O76064, Q6UWE0, Q8WVN8, Q86YJ5, Q14669, Q86Y13, Q15386, O14802, O95602, Q2L6J2, Q9Y2S0, Q7Z3R8, Q9BT43, Q96HT3, A4D1Z6, Q96GK1, A1L4Q0, Q5SQQ7, A4D2J9, Q13555, Q5HYC3, A4D1U5, A2RUF7, Q9H8X2, Q5TAQ4, Q92551, P29322, O15197, Q5JZY3, P08581, Q96CY4, Q01973, P30530, Q6NUK7, Q5S007, Q8WXR4, Q6PJ06, P48730, P49674, Q9Y6M4, Q59H88, Q8NB16, Q2M2I8, Q9UKE5, Q96RG2, A0ZT99, Q6XUX3, O14976, Q6PHR2, Q9UPE1, Q9H2X6, Q86YV6, O43187, Q52WX2, P53671, Q9P2K8, Q69FE3, Q8IV63, Q9H2K8, Q9HCP0, Q9H4D1, Q6PCD5, Q4W5H2, Q7L7X3, A6NND1, A8MQ23, Q9UQB9, O00311, A0ZT98, Q5U0E6, Q96GX5, Q96QS6, Q13546, O43172, A0PJ48, Q9NZJ5, Q8IYT8, Q9H2G2, A4D1H4, A8MY43, Q14164, Q6P5Z2, Q8WTQ7, A4D1G0, Q8IZL9, Q5MAI5, Q8IVW4, O94921, Q9UQ07, Q8TD08, A1A4C4, Q6IQ55, Q13627, Q96KB5, A4QPA9, P36507, Q13488, Q8NHE4, P36543, Q53X12, Q15904, A4D1K0, B0YIY3, P67870, B0LPE5, B0LPI0, B2RB89, Q6ZS86, Q9BSD7, Q13838, O60231, Q9H0R6, Q5JTZ9, Q9NSE4, Q7L3T8, Q09428, Q8NE71, Q03518, Q03519, Q9BW19, Q14566, P33993, Q5FVE4, Q96GR2, Q86YT6, Q8WVD3, Q92772, Q99496, Q9NRN7, Q9UBE0, Q9Y2X8, Q8IWU2, Q14139, Q9UBS0, Q7Z419, P78368, Q16644, Q9H6R3, Q9Y4B4, Q8N3C0, Q9HD20, Q9NQ11, Q9H7F0, Q4VNC1, Q4VNC0, Q8NBU5, Q6PL18, Q8N884, Q86WJ1, O14646, O14647, Q12873, Q14839, Q8TDI0, Q8TD26, Q9P2D1, Q9HCK8, Q3L8U1, A8MPP1, Q9NUU7, Q9UMR2, Q13206, Q96FC9, Q92771, Q92841, Q9NVP1, Q92499, Q9UHI6, Q9NR30, Q9BUQ8, Q9GZR7, Q9UHL0, Q96GQ7, Q9NUL7, Q9H8H2, O00571, O15523, Q9UJV9, Q86XP3, Q9NXZ2, Q7L014, Q9H0S4, Q9Y6V7, Q9NQI0, Q9BQ39, Q8N8A6, Q9Y2R4, Q86TM3, Q8TDD1, Q8NHQ9, Q9NY93, O95786, Q5T1V6, P17844, Q8IY21, Q5H9U9, P26196, O43143, Q7Z478, Q7L2E3, Q7L7V1, Q9H6R0, Q14147, Q9H5Z1, Q9H2U1, Q8IY37, Q8IX18, Q6P158, Q96C10, Q14562, Q08211, P51530, Q7L8W6, Q8TE96, O00148, Q2NKX8, P19447, Q9BX63, Q8IYD8, Q8NFZ0, Q9BVA6, O43716, Q6PIY7, Q8TDG4, A2PYH4, Q2TB90, P60842, Q14240, P38919, Q9BYX4, Q9ULG1, Q9Y3D8, Q96MA6, Q9BW62, Q8IYT4, Q9BXT6, P49736, P25205, P33991, P33992, Q9UJA3, Q9NXL9, Q9HCE1, Q4G0N4, Q8IVL1, P56597, Q8IW45, Q9NVV4, Q9NRJ5, Q96RR1, Q9H611, Q92620, O94761, O94762, Q9P1U0, Q3B726, P19388, P61218, P52434, P53803, P62875, O15160, P52435, Q9GZM3, P19387, O15514, P62487, P36954, Q9BUI4, Q9NVU0, Q9H1D9, Q9Y3I0, Q9NZ71, Q9Y265, P42285, P38935, Q9H4L7, Q9UBP0, Q9H6E5, P13984, Q8NDG6, P55072, Q9NWX6, Q14258, A1L167, O75643, P60604, Q7Z7E8, P49427, P62256, P61086, Q9NPD8, Q6PFW1, O43314, Q9UN37, O75351, O75063, Q9H6S0, P49652, P41231, P51582, O35811, Q15077, Q96G91, Q9EPX4, P51575, P49653, P56373, Q99571, P51577, P51578, P51579, Q99572, P29410, P29411, O18956, P05708, P27881, P27926, P27158, P47900, P97687, O35795, P39069, P13444, P18298, Q15172, P49651, Q8JXU8, P41148, P08238, P0A9J4, n.a., Q62967, Q9H244, Q9BXA7, P0A9J6, O96020, P02545, P0DMV8, P04406, P11142, O15648, P9WIL5, P08659, P43220, Q9JJX6, Q12931, P14625, P07900, P09768, P22413, O14638, Q8C6L5, P0DTD1, P11021 |
| Iupac Name | [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate |
| Prediction Hob | 0.0 |
| Class | Purine nucleotides |
| Target Id | NPT3826, NPT3827, NPT3829, NPT2674, NPT2675, NPT4954, NPT2654, NPT3825, NPT4961, NPT1441, NPT483, NPT4848, NPT2604, NPT4505, NPT1429, NPT918, NPT2757 |
| Xlogp | -5.7 |
| Superclass | Nucleosides, nucleotides, and analogues |
| Subclass | Purine ribonucleotides |
| Molecular Formula | C10H16N5O13P3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | ZKHQWZAMYRWXGA-KQYNXXCUSA-N |
| Fcsp3 | 0.5 |
| Logs | -0.302 |
| Rotatable Bond Count | 8.0 |
| State | Solid |
| Logd | -1.711 |
| Synonyms | Adenosine 5'-triphosphate, Adenosine-5'-triphosphate, Adephos, Adetol, Adynol, Atipi, Atriphos, Cardenosine, Fosfobion, Glucobasin, H4ATP, Myotriphos, Triadenyl, Triphosphaden, Adenosine 5'-triphosphoric acid, Adenosine triphosphoric acid, ADENOSINE-5'-triphosphoric acid, 5'-(Tetrahydrogen triphosphate) adenosine, 5'-ATP, Adenosine 5'-triphosphorate, Adenylpyrophosphorate, Adenylpyrophosphoric acid, ATP, Phosphobion, Striadyne, Triphosphoric acid adenosine ester, Adenylpyrophosphate, 5’-ATP, Adenosine 5’-triphosphate, Adenosine 5’-triphosphoric acid, Adenosine triphosphate, Adenosine-5’-triphosphate |
| Compound Name | Adenosine Triphosphate |
| Kingdom | Organic compounds |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 506.996 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 506.996 |
| Hydrogen Bond Acceptor Count | 17.0 |
| Molecular Weight | 507.18 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 4.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Esol | 0.9259328903225801 |
| Inchi | InChI=1S/C10H16N5O13P3/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(26-10)1-25-30(21,22)28-31(23,24)27-29(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H,23,24)(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1 |
| Smiles | C1=NC(=C2C(=N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O)N |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
| Taxonomy Direct Parent | Purine ribonucleoside triphosphates |
- 1. Outgoing r'ship
FOUND_INto/from Allium Sativum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all