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CHEBI:179772 - PS(21:0/15:1(9Z))

ChEBI IDCHEBI:179772
ChEBI NamePS(21:0/15:1(9Z))
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SubmitterMetaboLights
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FormulaC42H80NO10P
Net Charge0
Average Mass790.073
Monoisotopic Mass789.55198
SMILESCCCCC/C=C\CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCCCCCCC)COP(=O)(O)OC[C@H](N)C(=O)O
InChIInChI=1S/C42H80NO10P/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-24-25-27-29-31-33-40(44)50-35-38(36-51-54(48,49)52-37-39(43)42(46)47)53-41(45)34-32-30-28-26-23-16-14-12-10-8-6-4-2/h12,14,38-39H,3-11,13,15-37,43H2,1-2H3,(H,46,47)(H,48,49)/b14-12-/t38-,39+/m1/s1
InChIKeyLPXJZLWGLXJVDS-JMKDLZGBSA-N
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(21:0/15:1(9Z)) (CHEBI:179772) is a phosphatidyl-L-serine (CHEBI:18303)
IUPAC Name 
(2S)-2-amino-3-[[(2R)-3-henicosanoyloxy-2-[(Z)-pentadec-9-enoyl]oxypropoxy]-hydroxyphosphoryl]oxypropanoic acid
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