EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C22H44NO9P |
| Net Charge | 0 |
| Average Mass | 497.566 |
| Monoisotopic Mass | 497.27537 |
| SMILES | CCCCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(=O)(O)OC[C@H](N)C(=O)O |
| InChI | InChI=1S/C22H44NO9P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-21(25)30-16-19(24)17-31-33(28,29)32-18-20(23)22(26)27/h19-20,24H,2-18,23H2,1H3,(H,26,27)(H,28,29)/t19-,20+/m1/s1 |
| InChIKey | XIVOBOJQPNEUSC-UXHICEINSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Mus musculus (ncbitaxon:10090) | serum (BTO:0001239) | MetaboLights (MTBLS3725) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| PS(16:0/0:0) (CHEBI:184125) is a 1-acyl-sn-glycero-3-phosphoserine (CHEBI:52603) |
| IUPAC Name |
|---|
| (2S)-2-amino-3-[[(2R)-3-hexadecanoyloxy-2-hydroxypropoxy]-hydroxyphosphoryl]oxypropanoic acid |
| Manual Xrefs | Databases |
|---|---|
| 7826050 | ChemSpider |
| LMGP03050002 | LIPID MAPS |