Sphingosine
PubChem CID: 5280335
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| Compound Synonyms | sphingosine, D-erythro-Sphingosine, 123-78-4, D-Sphingosine, 4-Sphingenine, Sphingenine, 4-trans-Sphingenine, Sphing-4-enine, (4E)-Sphingenine, (2S,3R,4E)-2-Amino-4-octadecene-1,3-diol, trans-D-erythro-2-Amino-4-octadecene-1,3-diol, (E,2S,3R)-2-aminooctadec-4-ene-1,3-diol, 4-octadecene-1,3-diol, 2-amino-, (2S,3R,4E)-, trans-4-Sphingenine, D-erythro-Sphingosine (synthetic), (2S,3R)-Sphingosine, C18-Sphingosine, (-)-Sphingosine, (-)-D-erythro-Sphingosine, (2S,3R,4E)-2-aminooctadec-4-ene-1,3-diol, erythro-4-Sphingenine, dl-Erythro-sphingosine, Erythro-dl-sphingosine, sphingosin, (E)-2-Amino-4-octadecan-1,3-diol, CCRIS 6899, Sphingoid, (2S,3R,E)-2-aminooctadec-4-ene-1,3-diol, c18-erythro-sphingenine, C18 sphingosine, D-erythro-C18-Sphingosine, NGZ37HRE42, MFCD00036751, D-erythrosphingosine, Sphingosine d18:1, CHEBI:16393, (2S,3R)-2-aminooctadec-4-ene-1,3-diol, (4E)-sphing-4-enine, SPHINGOSINE [MI], 4-Octadecene-1,3-diol, 2-amino-, (R-(R*,S*-(E)))-, 2S-Amino-4E-octadecene-1,3R-diol, EINECS 204-651-3, (E)-D-erythro-4-octadecene-1,3-diol, 4-Octadecene-1,3-diol, 2-amino-, (2R,3S,4E)-rel-, 0Y6SVQ612Q, 2733-29-1, DTXSID90861763, 4-Octadecene-1,3-diol, 2-amino-, (R*,S*-(E))-, 2-amino-4-octadecene-1,3-diol, MLS-0412588.0001, UNII-0Y6SVQ612Q, (2S,3R)-(E)-2-amino-1,3-dihydroxy-4-octadecene, (2S,3R,4E)-2-amino-3-hydroxyoctadec-4-ene-1-ol, Erythrosphingosine, D-(+)-erythro-1,3-dihydroxy-2-amino-4-trans-octadecene, 4-OCTADECENE-1,3-DIOL, 2-AMINO-, (E)-D-ERYTHRO-, 4 Sphingenine, 4-Octadecene-1,3-diol, 2-amino-, (E)-dl-erythro-, SMR000857107, CHEMBL67166, UNII-NGZ37HRE42, sphingenines, 4-Octadecene-1,3-diol, 2-amino-, [R-[R*,S*-(E)]]-, 4-Octadecene-1,3-diol, 2-amino-, (R*,S*-(E))-(+)-, D-Erythro-spinghosine, D-Sphingosine synthetic, D-Sphingosine, synthetic, erythro-C18-Sphingosine, Sphingosine, C18 chain, BiomolKI_000034, (2S,3R)-2-Amino-4-octadecene-1,3-diol, BiomolKI2_000042, bmse000850, (2S,3R,E)-2-Amino-4-octadecene-1,3-diol, Lopac0_001049, SCHEMBL19398, BSPBio_001526, MLS001332469, MLS001332470, MLS002172450, Erythrosphingosine, erythro-C18-Sphingosine, trans-4-Sphingenine, BMK1-D10, BML3-C09, GTPL2452, SCHEMBL1471985, Sphingosine - Bio-X trade mark, BDBM83205, CHEBI:26738, CHEBI:26743, cid_5280335, DTXCID301436146, HMS1361M08, HMS1791M08, HMS1989M08, HMS2232M04, HMS3402M08, HMS3650M05, 10140-30-4, D-(+)-erytho-4-trans-Sphingenine, DL-ERYTHRO-SPHINGOSINE [MI], EX-A1428, EI-155, HB0239, LMSP01010001, s2210, D-Sphingosine, >=98.0% (TLC), AKOS024458590, CCG-100638, DB03203, ERYTHRO-SPHINGOSINE, (+/-)-, FS16327, IDI1_033996, NCGC00024697-02, NCGC00024697-03, NCGC00024697-04, NCGC00024697-05, NCGC00024697-06, NCGC00024697-07, AC-28329, AS-66175, FS168079, HY-101047, CS-0020759, NS00014837, S0874, (E,2S,3R)-2-amino-4-octadecene-1,3-diol, (E,2S,3R)-2-azanyloctadec-4-ene-1,3-diol, C00319, F20671, Q46298, D-Sphingosine, from bovine brain, ~99% (TLC), SR-01000597656, Sphingosine (d18:1), D-erythro-sphingosine, powder, SR-01000597656-1, [R-[R*,S*-(E)]]-2-amino-4-Octadecene-1,3-diol, E66DE871-3B37-406A-891B-A804BDC7ABF9, 4-Octadecene-1,3-diol, 2-amino-, (2S,3R,4E)- (9CI), 4-Octadecene-1,3-diol, 2-amino-, (E)-D-erythro- (8CI), 4-Octadecene-1,3-diol, 2-amino-, (R-(R*,S*-(E))), 4-OCTADECENE-1,3-DIOL, 2-AMINO-, (R*,S*-(E))-(+/-)-, Brain Sphingosine, D-erythro-Sphingosine (Brain, Porcine), powder, (2S,3R,4E)-2-Aminooctadec-4-ene-1,3-diol, trans-D-erythro-2-Amino-4-octadecene-1,3-diol, 4-Sphingenine, D-erythro-Sphingosine, 89164-20-5 |
|---|---|
| Topological Polar Surface Area | 66.5 |
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 21.0 |
| Description | Cerebrosides is the common name for a group of glycosphingolipids called monoglycosylceramides which are important components in animal muscle and nerve cell membranes. They consist of a ceramide with a single sugar residue at the 1-hydroxyl moiety. The sugar residue can be either glucose or galactose, the two major types are therefore called glucocerebrosides and galactocerebrosides. Galactocerebrosides are typically found in neural tissue, while glucocerebrosides are found in other tissues. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 231.0 |
| Database Name | cmaup_ingredients;fooddb_chem_all;hmdb_chem_all;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 2.0 |
| Uniprot Id | O43688, O14494, O14495, Q8N5D6, Q9Y2B2, Q9BRB3, P37287, Q14442, P57054, Q92535, Q9NYA1, Q9NRA0, Q13510, P17900, P15812, O95977, O95136, P61916, P21453, Q9H228, P27544, P15813, Q9H3S5, Q7Z7B1, Q8TBF5, Q86VD9, Q9BYG0, Q9Y2C3, Q92521, Q07326, Q5H8A4, O95427, Q8TEQ8, Q96S52, Q969N2, Q9H490, Q9NUD9, Q3MUY2, Q96JA3, P46095, P0C7U2, Q5QJU3, Q9NR71, Q9HCG7, Q96GK1, Q8TDN7, Q99500, Q8N5B7, Q92643, O43292, O95397, A6NH11, B5MDU3, P06126, Q5TA50, P29017, P18428, Q9UFH6, P29016, Q9NZD2, Q8IWX5, Q96G23, Q8IU89, Q9HA82, Q6ZMG9, P09217, P11597, n.a., P63319, P27791, O33853, P02545, P02791, P25779, P10828, P10636, P0A6C1, Q9F4F7, Q03164, P28482, P54132, P06280, P10520, P06746, O75496, P04062, Q07440, P61088, Q96QE3, Q13951, P11473, P35414, P51684, Q9UNA4, Q12809, Q9Y253, P08659, P32302, P17405, Q9NUW8, O75874, O94782, P0DTD1 |
| Iupac Name | (E,2S,3R)-2-aminooctadec-4-ene-1,3-diol |
| Prediction Hob | 0.0 |
| Class | Organonitrogen compounds |
| Target Id | NPT910, NPT3193, NPT3194, NPT483, NPT46, NPT51, NPT282, NPT58, NPT501, NPT59, NPT10, NPT2801, NPT1110, NPT1111 |
| Xlogp | 5.3 |
| Superclass | Organic nitrogen compounds |
| Subclass | Amines |
| Molecular Formula | C18H37NO2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | WWUZIQQURGPMPG-KRWOKUGFSA-N |
| Fcsp3 | 0.8888888888888888 |
| Logs | -4.193 |
| Rotatable Bond Count | 15.0 |
| State | Solid |
| Logd | 3.668 |
| Synonyms | Cerebrosides, Monoglycosylceramide, Monoglycosylceramides, (2S,3R)-(e)-2-Amino-1,3-dihydroxy-4-octadecene, (2S,3R,4E)-2-Amino-3-hydroxyoctadec-4-ene-1-ol, (2S,3R,4E)-2-Amino-4-octadecene-1,3-diol, (2S,3R,e)-2-Aminooctadec-4-ene-1,3-diol, (4E)-Sphing-4-enine, (4E)-Sphingenine, (e)-2-Amino-4-octadecan-1,3-diol, (e)-D-Erythro-4-octadecene-1,3-diol, 2-Amino-4-octadecene-1,3-diol, C18 Sphingosine, D-(+)-Erythro-1,3-dihydroxy-2-amino-4-trans-octadecene, D-Erythro-sphingosine, Sph, Sphing-4-enine, Sphingenine, Sphingoid, Sphingosin, Sphingosine D18:1, trans-4-Sphingenine, trans-D-Erythro-2-amino-4-octadecene-1,3-diol, 4-Sphingenine, 4 Sphingenine, (-)-D-erythro-Sphingosine, (-)-Sphingosine, (2S,3R)-Sphingosine, 4-trans-Sphingenine, C18-Sphingosine, D-(+)-erythro-4-trans-Sphingenine, D-Sphingosine, D-erythro-C18-Sphingosine, Erythrosphingosine, Sphingosine, erythro-4-Sphingenine, erythro-C18-Sphingosine, SP(d18:1) |
| Compound Name | Sphingosine |
| Kingdom | Organic compounds |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 299.282 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 299.282 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 299.5 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 1.0 |
| Molecular Framework | Aliphatic acyclic compounds |
| Esol | -4.033293799999999 |
| Inchi | InChI=1S/C18H37NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(21)17(19)16-20/h14-15,17-18,20-21H,2-13,16,19H2,1H3/b15-14+/t17-,18+/m0/s1 |
| Smiles | CCCCCCCCCCCCC/C=C/[C@H]([C@H](CO)N)O |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 1.0 |
| Taxonomy Direct Parent | 1,2-aminoalcohols |
- 1. Outgoing r'ship
FOUND_INto/from Ficus Carica (Plant) Rel Props:Source_db:fooddb_chem_all - 2. Outgoing r'ship
FOUND_INto/from Phaseolus Vulgaris (Plant) Rel Props:Source_db:fooddb_chem_all - 3. Outgoing r'ship
FOUND_INto/from Pogostemon Cablin (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 4. Outgoing r'ship
FOUND_INto/from Punica Granatum (Plant) Rel Props:Source_db:fooddb_chem_all