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CHEBI:176980 - PS(14:0/17:0)

ChEBI IDCHEBI:176980
ChEBI NamePS(14:0/17:0)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC37H72NO10P
Net Charge0
Average Mass721.954
Monoisotopic Mass721.48938
SMILESCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCC)COP(=O)(O)OC[C@H](N)C(=O)O
InChIInChI=1S/C37H72NO10P/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/h33-34H,3-32,38H2,1-2H3,(H,41,42)(H,43,44)/t33-,34+/m1/s1
InChIKeyPJCUMCRIZXYQCZ-NOCHOARKSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) blood serum (BTO:0000133) Article
ChEBI Ontology
Outgoing Relation(s)
PS(14:0/17:0) (CHEBI:176980) is a anthocyanin (CHEBI:38697)
IUPAC Name 
(2S)-2-amino-3-[[(2R)-2-heptadecanoyloxy-3-tetradecanoyloxypropoxy]-hydroxyphosphoryl]oxypropanoic acid
Manual XrefsDatabases
59695391ChemSpider
LMGP03010096LIPID MAPS