EMBL-EBI | Chemical Biology | ChEBI
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| Formula | C48H89NO10P |
| Net Charge | -1 |
| Average Mass | 871.211 |
| Monoisotopic Mass | 870.62296 |
| SMILES | CCCCC/C=C\C/C=C\CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)COP(=O)([O-])OC[C@H]([NH3+])C(=O)[O-] |
| InChI | InChI=1S/C48H90NO10P/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-26-27-29-31-33-35-37-39-46(50)56-41-44(42-57-60(54,55)58-43-45(49)48(52)53)59-47(51)40-38-36-34-32-30-28-25-18-16-14-12-10-8-6-4-2/h12,14,18,25,44-45H,3-11,13,15-17,19-24,26-43,49H2,1-2H3,(H,52,53)(H,54,55)/p-1/b14-12-,25-18-/t44-,45+/m1/s1 |
| InChIKey | GTPJWZAJNFLGQE-FIDPFJKPSA-M |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Homo sapiens (ncbitaxon:9606) | hTERT-RPE1 cell (BTO:0004790) | MetaboLights (MTBLS682) |
| 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) |
| 24:0-18:2-PS (CHEBI:191368) is a phosphatidyl-L-serine (CHEBI:18303) |
| IUPAC Name |
|---|
| (2S)-2-azaniumyl-3-[[(2R)-2-[(9Z,12Z)-octadeca-9,12-dienoyl]oxy-3-tetracosanoyloxypropoxy]-oxidophosphoryl]oxypropanoate |