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CHEBI:86181 - 1-octadecanoyl-2-[(5Z,8Z,11Z,14Z,17Z)-eicosapentaenoyl]-sn-glycero-3-phosphocholine
| Formula | C46H82NO8P |
| Net Charge | 0 |
| Average Mass | 808.135 |
| Monoisotopic Mass | 807.57781 |
| SMILES | CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C |
| InChI | InChI=1S/C46H82NO8P/c1-6-8-10-12-14-16-18-20-22-23-25-27-29-31-33-35-37-39-46(49)55-44(43-54-56(50,51)53-41-40-47(3,4)5)42-52-45(48)38-36-34-32-30-28-26-24-21-19-17-15-13-11-9-7-2/h8,10,14,16,20,22,25,27,31,33,44H,6-7,9,11-13,15,17-19,21,23-24,26,28-30,32,34-43H2,1-5H3/b10-8-,16-14-,22-20-,27-25-,33-31-/t44-/m1/s1 |
| InChIKey | ZMNDHWFRGYCJKG-UQIQIHEKSA-N |
| Roles Classification |
|---|
| Biological Role: | Caenorhabditis elegans metabolite A nematode metabolite produced by Caenorhabditis elegans. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 1-octadecanoyl-2-[(5Z,8Z,11Z,14Z,17Z)-eicosapentaenoyl]-sn-glycero-3-phosphocholine (CHEBI:86181) has functional parent all-cis-5,8,11,14,17-icosapentaenoic acid (CHEBI:28364) |
| 1-octadecanoyl-2-[(5Z,8Z,11Z,14Z,17Z)-eicosapentaenoyl]-sn-glycero-3-phosphocholine (CHEBI:86181) has functional parent octadecanoic acid (CHEBI:28842) |
| 1-octadecanoyl-2-[(5Z,8Z,11Z,14Z,17Z)-eicosapentaenoyl]-sn-glycero-3-phosphocholine (CHEBI:86181) is a phosphatidylcholine 38:5 (CHEBI:64525) |
| IUPAC Name |
|---|
| (2R)-2-[(5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoyloxy]-3-(octadecanoyloxy)propyl 2-(trimethylazaniumyl)ethyl phosphate |
| Synonyms | Source |
|---|---|
| GPCho(18:0/20:5n3) | HMDB |
| 1-Stearoyl-2-eicosapentaenoyl-sn-glycero-3-phosphocholine | HMDB |
| PC(18:0/20:5n3) | HMDB |
| PC(18:0/20:5w3) | HMDB |
| Phosphatidylcholine(18:0/20:5w3) | HMDB |
| GPCho(18:0/20:5w3) | HMDB |
| Manual Xrefs | Databases |
|---|---|
| HMDB0008050 | HMDB |
| LMGP01010805 | LIPID MAPS |