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CHEBI:86130 - 1-[(9Z)-octadecenoyl]-2-[(6Z,9Z,12Z)-octadecatrienoyl]-sn-glycero-3-phosphocholine
| Formula | C44H80NO8P |
| Net Charge | 0 |
| Average Mass | 782.097 |
| Monoisotopic Mass | 781.56216 |
| SMILES | CCCCC/C=C\C/C=C\C/C=C\CCCCC(=O)O[C@H](COC(=O)CCCCCCC/C=C\CCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C |
| InChI | InChI=1S/C44H80NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-43(46)50-40-42(41-52-54(48,49)51-39-38-45(3,4)5)53-44(47)37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h15,17,20-23,27,29,42H,6-14,16,18-19,24-26,28,30-41H2,1-5H3/b17-15-,22-20-,23-21-,29-27-/t42-/m1/s1 |
| InChIKey | KATPUHPZOZWFBR-ZBFGQIGBSA-N |
| Roles Classification |
|---|
| Biological Role: | human metabolite Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens). |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 1-[(9Z)-octadecenoyl]-2-[(6Z,9Z,12Z)-octadecatrienoyl]-sn-glycero-3-phosphocholine (CHEBI:86130) has functional parent oleic acid (CHEBI:16196) |
| 1-[(9Z)-octadecenoyl]-2-[(6Z,9Z,12Z)-octadecatrienoyl]-sn-glycero-3-phosphocholine (CHEBI:86130) has functional parent γ-linolenic acid (CHEBI:28661) |
| 1-[(9Z)-octadecenoyl]-2-[(6Z,9Z,12Z)-octadecatrienoyl]-sn-glycero-3-phosphocholine (CHEBI:86130) is a phosphatidylcholine 36:4 (CHEBI:64520) |
| IUPAC Name |
|---|
| (2R)-2-[(6Z,9Z,12Z)-octadeca-6,9,12-trienoyloxy]-3-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylazaniumyl)ethyl phosphate |
| Synonyms | Source |
|---|---|
| PC(18:1(9Z)/18:3(6Z,9Z,12Z)) | LIPID MAPS |
| Phosphatidylcholine(18:1/18:3) | HMDB |
| PC(18:1n9/18:3n6) | HMDB |
| PC(18:1/18:3) | HMDB |
| GPCho(18:1n9/18:3n6) | HMDB |
| GPCho(18:1/18:3) | HMDB |
| Manual Xrefs | Databases |
|---|---|
| LMGP01011603 | LIPID MAPS |
| HMDB0008106 | HMDB |