EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
CHEBI:131659 - 1-[(9Z)-hexadecenoyl]-2-acetyl-sn-glycero-3-phosphocholine
| Formula | C26H50NO8P |
| Net Charge | 0 |
| Average Mass | 535.659 |
| Monoisotopic Mass | 535.32740 |
| SMILES | CCCCCC/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(C)=O |
| InChI | InChI=1S/C26H50NO8P/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-26(29)32-22-25(35-24(2)28)23-34-36(30,31)33-21-20-27(3,4)5/h11-12,25H,6-10,13-23H2,1-5H3/b12-11-/t25-/m1/s1 |
| InChIKey | QALLXIUHRUVULB-OKFWSBNLSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Mus musculus (ncbitaxon:10090) | |||
| - | MetaboLights (MTBLS334) | ||
| - | PubMed (27471436) |
| Roles Classification |
|---|
| Biological Role: | mouse metabolite Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus). |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 1-[(9Z)-hexadecenoyl]-2-acetyl-sn-glycero-3-phosphocholine (CHEBI:131659) has functional parent palmitoleic acid (CHEBI:28716) |
| 1-[(9Z)-hexadecenoyl]-2-acetyl-sn-glycero-3-phosphocholine (CHEBI:131659) has role mouse metabolite (CHEBI:75771) |
| 1-[(9Z)-hexadecenoyl]-2-acetyl-sn-glycero-3-phosphocholine (CHEBI:131659) is a 1,2-diacyl-sn-glycero-3-phosphocholine (CHEBI:57643) |
| IUPAC Name |
|---|
| (2R)-2-(acetyloxy)-3-{[(9Z)-hexadec-9-enoyl]oxy}propyl 2-(trimethylazaniumyl)ethyl phosphate |
| Synonyms | Source |
|---|---|
| phosphatidylcholine (16:1/2:0) | ChEBI |
| PC(16:1/2:0) | LIPID MAPS |
| PC(16:1(9Z)/2:0) | ChEBI |
| phosphatidylcholine (16:1(9Z)/2:0) | ChEBI |
| 1-(9Z-hexadecenoyl)-2-acetyl-sn-glycero-3-phosphocholine | LIPID MAPS |
| 1-palmitoleoyl-2-acetyl-sn-glycero-3-phosphocholine | ChEBI |
| Manual Xrefs | Databases |
|---|---|
| LMGP01010693 | LIPID MAPS |
| Registry Numbers | Sources |
|---|---|
| Reaxys:30084827 | Reaxys |
| Citations |
|---|