Colfosceril palmitate
PubChem CID: 452110
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| Compound Synonyms | 63-89-8, Colfosceril palmitate, 1,2-Dipalmitoyl-sn-glycero-3-phosphocholine, DPPC, diPalmitoylphosphatidylcholine, 1,2-Dipalmitoyl-L-lecithin, 1,2-dihexadecanoyl-sn-glycero-3-phosphocholine, PC(16:0/16:0), Palmitate de colfosceril, Palmitato de colfoscerilo, (R)-2,3-Bis(palmitoyloxy)propyl (2-(trimethylammonio)ethyl) phosphate, Colfoscerili palmitas, L-DPPC, Dipalmitoyl phosphatidylcholine, Dppc, l-, Dppc, r-, Dipalmitoyl lecithin, l-, 1,2-Dipalmitoyl-sn-glycero-3-phosphorylcholine, 129Y83, MFCD00036903, 1,2-Dihexadecanoyl-sn-glycero-3-phosphorylcholine, Phosphatidylcholine(32:0), Dipalmitoyl-L-alpha-lecithin, 1,2-Dipalmitoyl-3-sn-phosphatidylcholine, Dipalmitoyl-phosphatidylcholine, 319X2NFW0A, Dipalmitoyl glycerophosphocholine, DTXSID5046720, CHEBI:72999, Phosphatidylcholine(16:0/16:0), 1-16:0-2-16:0-phosphatidylcholine, L-a-Dipalmitoyl lecithin, (2-{[(2R)-2,3-bis(hexadecanoyloxy)propyl phosphonato]oxy}ethyl)trimethylazanium, [(2R)-2,3-di(hexadecanoyloxy)propyl] 2-(trimethylazaniumyl)ethyl phosphate, 16:0-16:0-PC, Choline hydroxide, dihydrogen phosphate, inner salt, ester with L-1,2-dipalmitin, 129-Y-83, 1,2-dipalmitoyl-sn-glycero-3-Phosphatidylcholine, PC 32:0, 3,5,9-Trioxa-4-phosphapentacosan-1-aminium, 4-hydroxy-N,N,N-trimethyl-10-oxo-7-((1-oxohexadecyl)oxy)-, hydroxide, inner salt, 4-oxide, (R)-, C40H80NO8P, L-Dipalmitoyl lecithin, 1,2-DIACYL-SN-GLYCERO-3-PHOSHOCHOLINE, UNII-319X2NFW0A, dipalmitoyl-GPC, 1,?2-?Dipalmitoyl-?sn-?glycero-?3-?phosphocholine (Colfosceril Palmitate), Colfoscerilpalmitat, Colfoscerili palmitas [INN-Latin], Colfoscerilpalmitate, L-alpha-DPPC, EINECS 200-567-6, Palmitate de colfosceril [INN-French], Colfosceril palmitate [USAN:INN:BAN], L-a-Dipalmitoylecithin, L-a-Dipalmitoyllecithin, Palmitato de colfoscerilo [INN-Spanish], L-a-DPPC, sn-3-Dipalmitoyllecithin, Dipalmitoyl-L-a-lecithin, L-alpha-Dipalmitoylecithin, NCGC00167568-01, L-alpha-Dipalmitoyllecithin, COLFOSCERIL [VANDF], SCHEMBL24980, L-b,g-Dipalmitoyl-a-lecithin, MLS000028586, SURFAXIN COMPONENT DPPC, 1,2-Dipalmitoyl-L-a-lecithin, L-1,2-Dipalmitoyl-a-lecithin, L-a-1,2-Dipalmitoyl lecithin, CHEMBL1200737, DTXCID3026720, b,g-Dipalmitoyl-L-(a)-lecithin, DPPC, L-,-Dipalmitoyl--lecithin, LUCINACTANT COMPONENT DPPC, L-a-Dipalmitoylphosphatidylcholine, L-b,g-Dipalmitoyl-alpha-lecithin, phosphatidylcholine 16:0/16:0, 1,2-Dipalmitoyl-L-alpha-lecithin, Colfosceril palmitate (USAN/INN), COLFOSCERIL PALMITATE [MI], HMS2231H14, HMS3650O14, L-1,2-Dipalmitoyl-alpha-lecithin, L-alpha-1,2-Dipalmitoyl lecithin, COLFOSCERIL PALMITATE [INN], Dipalmitoyl L-a-phosphatidylcholine, Dipalmitoyl-L-a-phosphatidylcholine, L-b,g-Dipalmitoylphosphatidylcholine, COLFOSCERIL PALMITATE [USAN], Dipalmitoyl-sn-3-phosphatidylcholine, Tox21_112563, b,g-Dipalmitoyl-L-phosphatidylcholine, COLFOSCERIL PALMITATE [VANDF], L-1,2-Dipalmitoylphosphatidylcholine, L-alpha-Dipalmitoylphosphatidylcholine, LMGP01010564, 1,2-Dipalmitoyl-L-phosphatidylcholine, AKOS016013969, COLFOSCERIL PALMITATE [WHO-DD], Dipalmitoyl L-alpha-phosphatidylcholine, Dipalmitoyl-L-alpha-phosphatidylcholine, 1,2-Dipalmitoyl-sn-phosphatidylcholine, 1,2-L-a-Dipalmitoylphosphatidylcholine, b,g-Dipalmitoyl L-a-phosphatidylcholine, DB09114, FD46765, L-b,g-Dipalmitoyl-a-phosphatidylcholine, L-beta,gamma-Dipalmitoyl-alpha-lecithin, (R)-(4-Oxido-10-oxo-7-palmitoyl-3,5,9-trioxa-4-phosphapentacosyl)trimethylammonium 4-oxide, 1,2-Dipalmitoylglycero-3-phosphocholine, CAS-63-89-8, L-alpha-Phosphatidylcholine, dipalmitoyl, 1,2-Dipalmitoyl-L-3-phosphatidylcholine, 1,2-Dipalmitoyl-L-a-phosphatidylcholine, 1,2-Dipalmitoyl-sn-glycerophosphocholine, Dipalmitoyl-L-3-glycerylphosphorylcholine, (7R)-4-Hydroxy-N,N,N-trimethyl-10-oxo-7-[(1-oxohexadecyl)oxy]- 3,5,9-trioxa-4-phosphapentacosan-1-aminium 4-oxide, inner salt, Dihexadecanoyl-sn-glycero-3-phosphocholine, SMR000058951, 1,2-L-alpha-Dipalmitoylphosphatidylcholine, COLFOSCERIL PALMITATE [ORANGE BOOK], 1,2-Dipalmitoyl-L-alpha-phosphatidylcholine, 1,2-Dipalmitoyl-sn-3-glycerophosphocholine, 1,2-Dipalmitoyl-sn-glycerophosphorylcholine, b,g-Dipalmitoyl L-alpha-phosphatidylcholine, GPC(16:0/16:0), HY-109506, L-b,g-Dipalmitoyl-alpha-phosphatidylcholine, CS-0031214, D3925, 1,2-Dipalmitoyl-sn-glycerol-3-phosphocholine, 1,2-Dipalmitoyl-sn-glyceryl-3-phosphocholine, D03585, H10481, OP0201 COMPONENT COLFOSCERIL PALMITATE, SBI-0633659.0002, 1,2-Bis(palmitoyl)-sn-glycero-3-phosphocholine, EN300-7365657, OP-0201 COMPONENT COLFOSCERIL PALMITATE, 1,2-Bis(hexadecanoyl)-sn-glycero-3-phosphocholine, 1,2-Dihexadecanoyl-sn-glycerol-3-phosphorylcholine, Q5144764, EXOSURF NEONATAL COMPONENT COLFOSCERIL PALMITATE, 1.2 DIPALMITOYL-SN-GLYCERO-3-PHOSPHATIDYLCHOLINE, 1,2-Dipalmitoyl-sn-glycero-3-phosphocholine, >=99% (TLC), 1.2 DIPALMITOYL-SN-GLYCERO-3-PHOSPHATIDYLCHOLINE (DPPC), (R)-2,3-bis(palmitoyloxy)propyl 2-(trimethylammonio)ethyl phosphate, 1,2-Dipalmitoyl-sn-glycero-3-phosphocholine, semisynthetic, >=99%, (2-{[2.3-bis(hexadecanoyloxy)propyl phosphono]oxy}ethyl)trimethylazanium, (2R)-2,3-bis(hexadecanoyloxy)propyl 2-(trimethylammonio)ethyl phosphate, (2R)-2,3-bis(hexadecanoyloxy)propyl 2-(trimethylazaniumyl)ethyl phosphate, 16:0 PC (DPPC), 1,2-dipalmitoyl-sn-glycero-3-phosphocholine, powder, 2-[[(2R)-2,3-di(hexadecanoyloxy)propoxy]-hydroxy-phosphoryl]oxyethyl-trimethyl-ammonium, (R)-4-hydroxy-N,N,N-trimethyl-10-oxo-7-[(1-oxohexadecyl)oxy]-3,5,9-Trioxa-4-phosphapentacosan-1-aminium 4-oxide hydroxide inner salt, (R)-4-hydroxy-N,N,N-trimethyl-10-oxo-7-[(1-oxohexadecyl)oxy]-3,5,9-Trioxa-4-phosphapentacosan-1-aminium 4-oxide inner salt |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 111.0 |
| Hydrogen Bond Donor Count | 0.0 |
| Pfizer 3 75 Rule | False |
| Np Classifier Class | Glycerophosphocholines |
| Deep Smiles | CCCCCCCCCCCCCCCC=O)OC[C@@H]OC=O)CCCCCCCCCCCCCCC)))))))))))))))))COP=O)OCC[N+]C)C)C)))))[O-] |
| Heavy Atom Count | 50.0 |
| Pathway Kegg Map Id | map00564 |
| Classyfire Class | Glycerophospholipids |
| Description | PC(16:0/16:0) is a phosphatidylcholine (PC or GPCho). It is a glycerophospholipid in which a phosphorylcholine moiety occupies a glycerol substitution site. As is the case with diacylglycerols, glycerophosphocholines can have many different combinations of fatty acids of varying lengths and saturation attached at the C-1 and C-2 positions. Fatty acids containing 16, 18 and 20 carbons are the most common. PC(16:0/16:0), in particular, consists of two chains of palmitic acid at the C-1 and C-2 positions. The palmitic acid moieties are derived from fish oils, milk fats, vegetable oils and animal fats. Phospholipids, are ubiquitous in nature and are key components of the lipid bilayer of cells, as well as being involved in metabolism and signaling. Dipalmitoylphosphatidylcholine (DPPC) is the major constituent of pulmonary surfactant. It is also used for research purposes in studying liposomes, lipid bilayers, and model biological membranes. While most phospholipids have a saturated fatty acid on C-1 and an unsaturated fatty acid on C-2 of the glycerol backbone, the fatty acid distribution at the C-1 and C-2 positions of glycerol within phospholipids is continually in flux, owing to phospholipid degradation and the continuous phospholipid remodeling that occurs while these molecules are in membranes. PCs can be synthesized via three different routes. In one route, choline is activated first by phosphorylation and then by coupling to CDP prior to attachment to phosphatidic acid. PCs can also synthesized by the addition of choline to CDP-activated 1,2-diacylglycerol. A third route to PC synthesis involves the conversion of either PS or PE to PC. [HMDB] |
| Classyfire Subclass | Glycerophosphocholines |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 826.0 |
| Database Name | fooddb_chem_all;imppat_phytochem;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Enzyme Uniprot Id | O75608, O95372, P04180, Q05315, O14939, Q9Y5K3, P49585, Q8NHU3, Q86VZ5, P35790, O95237, P48651, Q3SYC2, Q6P1A2, Q7L5N7, Q8IV08, Q96BZ4, P30086, Q96S96, Q8N2A8, Q8IY17 |
| Uniprot Id | Q16637, P00811, P27695, n.a., P0DTD1 |
| Iupac Name | [(2R)-2,3-di(hexadecanoyloxy)propyl] 2-(trimethylazaniumyl)ethyl phosphate |
| Class | Glycerophospholipids |
| Veber Rule | False |
| Classyfire Superclass | Lipids and lipid-like molecules |
| Xlogp | 13.5 |
| Superclass | Lipids and lipid-like molecules |
| Subclass | Glycerophosphocholines |
| Gsk 4 400 Rule | False |
| Molecular Formula | C40H80NO8P |
| Inchi Key | KILNVBDSWZSGLL-KXQOOQHDSA-N |
| Silicos It Class | Insoluble |
| Rotatable Bond Count | 40.0 |
| State | Solid |
| Synonyms | (R)-4-Hydroxy-N,N,N-trimethyl-10-oxo-7-[(1-oxohexadecyl)oxy]-3,5,9-trioxa-4-apentacosan-1-aminium 4-oxide hydroxide inner salt, (R)-4-Hydroxy-N,N,N-trimethyl-10-oxo-7-[(1-oxohexadecyl)oxy]-3,5,9-trioxa-4-apentacosan-1-aminium 4-oxide inner salt, (R)-4-hydroxy-N,N,N-trimethyl-10-oxo-7-[(1-oxohexadecyl)oxy]-3,5,9-Trioxa-4-phosphapentacosan-1-aminium 4-oxide hydroxide inner salt, (R)-4-hydroxy-N,N,N-trimethyl-10-oxo-7-[(1-oxohexadecyl)oxy]-3,5,9-Trioxa-4-phosphapentacosan-1-aminium 4-oxide inner salt, 1-16:0-2-16:0-Atidylcholine, 1,2-Bis(hexadecanoyl)-sn-glycero-3-ocholine, 1,2-Bis(hexadecanoyl)-sn-glycero-3-phosphocholine, 1,2-Bis(palmitoyl)-sn-glycero-3-ocholine, 1,2-Bis(palmitoyl)-sn-glycero-3-phosphocholine, 1,2-Dihexadecanoyl-sn-glycero-3-ocholine, 1,2-Dihexadecanoyl-sn-glycerol-3-orylcholine, 1,2-Dihexadecanoyl-sn-glycerol-3-phosphorylcholine, 1,2-Dipalmitoyl-3-sn-atidylcholine, 1,2-Dipalmitoyl-3-sn-phosphatidylcholine, 1,2-Dipalmitoyl-L-3-atidylcholine, 1,2-Dipalmitoyl-L-3-phosphatidylcholine, 1,2-Dipalmitoyl-L-a-atidylcholine, 1,2-Dipalmitoyl-L-a-lecithin, 1,2-Dipalmitoyl-L-a-phosphatidylcholine, 1,2-Dipalmitoyl-L-alpha-atidylcholine, 1,2-Dipalmitoyl-L-alpha-lecithin, 1,2-Dipalmitoyl-L-alpha-phosphatidylcholine, 1,2-Dipalmitoyl-L-atidylcholine, 1,2-Dipalmitoyl-L-lecithin, 1,2-Dipalmitoyl-L-phosphatidylcholine, 1,2-Dipalmitoyl-rac-glycero-3-ocholine, 1,2-dipalmitoyl-rac-glycero-3-phosphocholine, 1,2-Dipalmitoyl-sn-3-glyceroocholine, 1,2-Dipalmitoyl-sn-3-glycerophosphocholine, 1,2-Dipalmitoyl-sn-atidylcholine, 1,2-Dipalmitoyl-sn-glycero-3-atidylcholine, 1,2-Dipalmitoyl-sn-glycero-3-ocholine, 1,2-Dipalmitoyl-sn-glycero-3-orylcholine, 1,2-Dipalmitoyl-sn-glycero-3-phosphatidylcholine, 1,2-Dipalmitoyl-sn-glycero-3-phosphocholine, 1,2-Dipalmitoyl-sn-glycero-3-phosphorylcholine, 1,2-Dipalmitoyl-sn-glycerol-3-ocholine, 1,2-Dipalmitoyl-sn-glycerol-3-phosphocholine, 1,2-Dipalmitoyl-sn-glyceroocholine, 1,2-Dipalmitoyl-sn-glyceroorylcholine, 1,2-Dipalmitoyl-sn-glycerophosphocholine, 1,2-Dipalmitoyl-sn-glycerophosphorylcholine, 1,2-Dipalmitoyl-sn-glyceryl-3-ocholine, 1,2-Dipalmitoyl-sn-glyceryl-3-phosphocholine, 1,2-Dipalmitoyl-sn-phosphatidylcholine, 1,2-Dipalmitoylatidylcholine, 1,2-Dipalmitoylglycero-3-ocholine, 1,2-Dipalmitoylglycero-3-phosphocholine, 1,2-L-a-Dipalmitoylatidylcholine, 1,2-L-a-Dipalmitoylphosphatidylcholine, 1,2-L-alpha-Dipalmitoylatidylcholine, 1,2-L-alpha-Dipalmitoylphosphatidylcholine, 16:0-16:0-PC, Atidylcholine 16:0/16:0, Atidylcholine(16:0/16:0), Atidylcholine(32:0), b,g-Dipalmitoyl L-a-atidylcholine, b,g-Dipalmitoyl L-a-phosphatidylcholine, b,g-Dipalmitoyl L-alpha-atidylcholine, b,g-Dipalmitoyl L-alpha-phosphatidylcholine, b,g-Dipalmitoyl-L-(a)-lecithin, b,g-Dipalmitoyl-L-atidylcholine, b,g-Dipalmitoyl-L-phosphatidylcholine, Colfosceril palmitate, Colfosceril palmitic acid, Colfoscerili palmitas, Dihexadecanoyl-sn-glycero-3-ocholine, Dihexadecanoyl-sn-glycero-3-phosphocholine, Dipalmitoyl atidylcholine, Dipalmitoyl L-a-atidylcholine, Dipalmitoyl L-a-phosphatidylcholine, Dipalmitoyl L-alpha-atidylcholine, Dipalmitoyl L-alpha-phosphatidylcholine, Dipalmitoyl-L-3-glycerylorylcholine, Dipalmitoyl-L-3-glycerylphosphorylcholine, Dipalmitoyl-L-a-atidylcholine, Dipalmitoyl-L-a-lecithin, Dipalmitoyl-L-a-phosphatidylcholine, Dipalmitoyl-L-alpha-atidylcholine, Dipalmitoyl-L-alpha-lecithin, Dipalmitoyl-L-alpha-phosphatidylcholine, Dipalmitoyl-sn-3-atidylcholine, Dipalmitoyl-sn-3-phosphatidylcholine, Dipalmitoylatidylcholine, Dipalmitoylphosphatidylcholine, DPPC, GPCho 16:0/16:0, GPCho(16:0/16:0), GPCho(32:0), L-1,2-Dipalmitoyl-a-lecithin, L-1,2-Dipalmitoyl-alpha-lecithin, L-1,2-Dipalmitoylatidylcholine, L-1,2-Dipalmitoylphosphatidylcholine, L-a-1,2-Dipalmitoyl lecithin, L-a-Dipalmitoylatidylcholine, L-a-Dipalmitoylecithin, L-a-Dipalmitoyllecithin, L-a-Dipalmitoylphosphatidylcholine, L-a-DPPC, L-alpha-1,2-Dipalmitoyl lecithin, L-alpha-Dipalmitoylatidylcholine, L-alpha-Dipalmitoylecithin, L-alpha-Dipalmitoyllecithin, L-alpha-Dipalmitoylphosphatidylcholine, L-alpha-DPPC, L-b,g-Dipalmitoyl-a-atidylcholine, L-b,g-Dipalmitoyl-a-lecithin, L-b,g-Dipalmitoyl-a-phosphatidylcholine, L-b,g-Dipalmitoyl-alpha-atidylcholine, L-b,g-Dipalmitoyl-alpha-lecithin, L-b,g-Dipalmitoyl-alpha-phosphatidylcholine, L-b,g-Dipalmitoylatidylcholine, L-b,g-Dipalmitoylphosphatidylcholine, L-Dipalmitoyl lecithin, L-DPPC, Palmitate de colfosceril, Palmitato de colfoscerilo, Palmitic acid de colfosceril, PC 16:0/16:0, PC Aa C32:0, PC(32:0), sn-3-Dipalmitoyllecithin, dipalmitoylphosphatidylcholine |
| Substituent Name | Diacylglycero-3-phosphocholine, Phosphocholine, Dialkyl phosphate, Fatty acid ester, Choline, Fatty acyl, Alkyl phosphate, Phosphoric acid ester, Organic phosphoric acid derivative, Organic phosphate, Dicarboxylic acid or derivatives, Quaternary ammonium salt, Carboxylic acid ester, Ether, Carboxylic acid derivative, Hydrocarbon derivative, Organic salt, Organooxygen compound, Organonitrogen compound, Carbonyl group, Amine, Organic zwitterion, Aliphatic acyclic compound |
| Esol Class | Insoluble |
| Functional Groups | CC(=O)OC, COC(C)=O, COP(=O)([O-])OC, C[N+](C)(C)C |
| Compound Name | Colfosceril palmitate |
| Kingdom | Organic compounds |
| Exact Mass | 733.562 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 733.562 |
| Hydrogen Bond Acceptor Count | 8.0 |
| Molecular Weight | 734.0 |
| Gi Absorption | False |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | False |
| Inchi | InChI=1S/C40H80NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-39(42)46-36-38(37-48-50(44,45)47-35-34-41(3,4)5)49-40(43)33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h38H,6-37H2,1-5H3/t38-/m1/s1 |
| Smiles | CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCC |
| Np Classifier Biosynthetic Pathway | Fatty acids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | False |
| Np Classifier Superclass | Glycerophospholipids |
- 1. Outgoing r'ship
FOUND_INto/from Lycoris Radiata (Plant) Rel Props:Reference:ISBN:9788185042145