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CHEBI:86127 - 1-[(9Z,12Z,15Z)-octadecatrienoyl]-2-[(9Z)-octadecenoyl]- sn -glycero-3-phosphocholine
| Formula | C44H80NO8P |
| Net Charge | 0 |
| Average Mass | 782.097 |
| Monoisotopic Mass | 781.56216 |
| SMILES | CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCC/C=C\CCCCCCCC |
| 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/h8,10,14,16,20-23,42H,6-7,9,11-13,15,17-19,24-41H2,1-5H3/b10-8-,16-14-,22-20-,23-21-/t42-/m1/s1 |
| InChIKey | LPDGUCIMNBNWEJ-BXZVQSHESA-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,12Z,15Z)-octadecatrienoyl]-2-[(9Z)-octadecenoyl]- sn -glycero-3-phosphocholine (CHEBI:86127) has functional parent oleic acid (CHEBI:16196) |
| 1-[(9Z,12Z,15Z)-octadecatrienoyl]-2-[(9Z)-octadecenoyl]- sn -glycero-3-phosphocholine (CHEBI:86127) has functional parent α-linolenic acid (CHEBI:27432) |
| 1-[(9Z,12Z,15Z)-octadecatrienoyl]-2-[(9Z)-octadecenoyl]- sn -glycero-3-phosphocholine (CHEBI:86127) is a phosphatidylcholine 36:4 (CHEBI:64520) |
| IUPAC Name |
|---|
| (2R)-3-{[(9Z,12Z,15Z)-octadeca-9,12,15-trienoyl]oxy}-2-{[(9Z)-octadec-9-enoyl]oxy}propyl 2-(trimethylazaniumyl)ethyl phosphate |
| Synonyms | Source |
|---|---|
| PC(18:3(9Z,12Z,15Z)/18:1(9Z)) | LIPID MAPS |
| PC(18:3n3/18:1n9) | HMDB |
| 1-alpha-Linolenoyl-2-oleoyl-sn-glycero-3-phosphocholine | HMDB |
| PC(18:3w3/18:1w9) | HMDB |
| Phosphatidylcholine(18:3/18:1) | HMDB |
| GPCho(18:3n3/18:1n9) | HMDB |
| Manual Xrefs | Databases |
|---|---|
| LMGP01010955 | LIPID MAPS |
| HMDB0008203 | HMDB |