EMBL-EBI | Chemical Biology | ChEBI
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| Formula | C20H38NO9P |
| Net Charge | 0 |
| Average Mass | 467.496 |
| Monoisotopic Mass | 467.22842 |
| SMILES | CCCC/C=C\CCCCCCCC(=O)OC[C@@H](O)COP(=O)(O)OC[C@H](N)C(=O)O |
| InChI | InChI=1S/C20H38NO9P/c1-2-3-4-5-6-7-8-9-10-11-12-13-19(23)28-14-17(22)15-29-31(26,27)30-16-18(21)20(24)25/h5-6,17-18,22H,2-4,7-16,21H2,1H3,(H,24,25)(H,26,27)/b6-5-/t17-,18+/m1/s1 |
| InChIKey | NPKANCOBLRPFQN-WIJVFFIESA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Malus domestica (ncbitaxon:3750) | exocarp (BTO:0000733) | MetaboLights (MTBLS2384) | Strain: Malus x domestica Borkh. cv. Ruixue |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| PS(14:1(9Z)/0:0) (CHEBI:169318) is a 1-acyl-sn-glycero-3-phosphoserine (CHEBI:52603) |
| IUPAC Name |
|---|
| (2S)-2-amino-3-[hydroxy-[(2R)-2-hydroxy-3-[(Z)-tetradec-9-enoyl]oxypropoxy]phosphoryl]oxypropanoic acid |
| Manual Xrefs | Databases |
|---|---|
| LMGP03050032 | LIPID MAPS |