EMBL-EBI | Chemical Biology | ChEBI
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| Formula | C37H68NO10P |
| Net Charge | 0 |
| Average Mass | 717.922 |
| Monoisotopic Mass | 717.45808 |
| SMILES | CCCC/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)(O)OC[C@H](N)C(=O)O)OC(=O)CCCCCCC/C=C\CCCCCCC |
| InChI | InChI=1S/C37H68NO10P/c1-3-5-7-9-11-13-15-16-17-19-21-23-25-27-29-36(40)48-33(31-46-49(43,44)47-32-34(38)37(41)42)30-45-35(39)28-26-24-22-20-18-14-12-10-8-6-4-2/h10,12,15-16,33-34H,3-9,11,13-14,17-32,38H2,1-2H3,(H,41,42)(H,43,44)/b12-10-,16-15-/t33-,34+/m1/s1 |
| InChIKey | ZVHFNGGIQLEXJG-VLQCDWODSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Cannabis sativa (ncbitaxon:3483) | inflorescence (BTO:0000628) | MetaboLights (MTBLS6032) | Strain: Cannabis sativa var. DMG265 |
| 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) |
| PS(14:1(9Z)/17:1(9Z)) (CHEBI:197203) is a phosphatidyl-L-serine (CHEBI:18303) |
| IUPAC Name |
|---|
| (2S)-2-amino-3-[[(2R)-2-[(Z)-heptadec-9-enoyl]oxy-3-[(Z)-tetradec-9-enoyl]oxypropoxy]-hydroxyphosphoryl]oxypropanoic acid |
| Manual Xrefs | Databases |
|---|---|
| 113376131 | ChemSpider |
| LMGP03010117 | LIPID MAPS |