EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
CHEBI:65246 - 1,2-dioctanoyl-sn-glycero-3-phosphoserine
| Formula | C22H42NO10P |
| Net Charge | 0 |
| Average Mass | 511.549 |
| Monoisotopic Mass | 511.25463 |
| SMILES | CCCCCCCC(=O)OC[C@H](COP(=O)(O)OC[C@H](N)C(=O)O)OC(=O)CCCCCCC |
| InChI | InChI=1S/C22H42NO10P/c1-3-5-7-9-11-13-20(24)30-15-18(33-21(25)14-12-10-8-6-4-2)16-31-34(28,29)32-17-19(23)22(26)27/h18-19H,3-17,23H2,1-2H3,(H,26,27)(H,28,29)/t18-,19+/m1/s1 |
| InChIKey | TWOCGGYLNFTSJO-MOPGFXCFSA-N |
| Roles Classification |
|---|
| Chemical Roles: | Bronsted base A molecular entity capable of accepting a hydron from a donor (Brønsted acid). Bronsted base A molecular entity capable of accepting a hydron from a donor (Brønsted acid). |
| Biological Role: | human metabolite Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens). |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 1,2-dioctanoyl-sn-glycero-3-phosphoserine (CHEBI:65246) is a 3-sn-phosphatidyl-L-serine (CHEBI:11750) |
| 1,2-dioctanoyl-sn-glycero-3-phosphoserine (CHEBI:65246) is a octanoate ester (CHEBI:87657) |
| 1,2-dioctanoyl-sn-glycero-3-phosphoserine (CHEBI:65246) is conjugate acid of 1,2-dioctanoyl-sn-glycero-3-phosphoserine(1−) (CHEBI:65223) |
| Incoming Relation(s) |
| 1,2-dioctanoyl-sn-glycero-3-phosphoserine(1−) (CHEBI:65223) is conjugate base of 1,2-dioctanoyl-sn-glycero-3-phosphoserine (CHEBI:65246) |
| IUPAC Name |
|---|
| O-{[(2R)-2,3-bis(octanoyloxy)propoxy](hydroxy)phosphoryl}-L-serine |
| Synonyms | Source |
|---|---|
| PS(8:0/8:0) | LIPID MAPS |
| 1,2-dioctanoyl-sn-glycero-3-phospho-L-serine | ChEBI |
| Manual Xrefs | Databases |
|---|---|
| LMGP03010021 | LIPID MAPS |
| Registry Numbers | Sources |
|---|---|
| Reaxys:18594207 | Reaxys |