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CHEBI:178640 - PS(22:1(11Z)/14:1(9Z))

Default Structure
ChEBI IDCHEBI:178640
ChEBI NamePS(22:1(11Z)/14:1(9Z))
Stars
SubmitterMetaboLights
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FormulaC42H78NO10P
Net Charge0
Average Mass788.057
Monoisotopic Mass787.53633
SMILESCCCC/C=C\CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCC/C=C\CCCCCCCCCC)COP(=O)(O)OC[C@H](N)C(=O)O
InChIInChI=1S/C42H78NO10P/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-22-24-25-27-29-31-33-40(44)50-35-38(36-51-54(48,49)52-37-39(43)42(46)47)53-41(45)34-32-30-28-26-23-14-12-10-8-6-4-2/h10,12,18-19,38-39H,3-9,11,13-17,20-37,43H2,1-2H3,(H,46,47)(H,48,49)/b12-10-,19-18-/t38-,39+/m1/s1
InChIKeyKCSZZSQRNVRVNG-MJZWZRNFSA-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(22:1(11Z)/14:1(9Z)) (CHEBI:178640) is a phosphatidyl-L-serine (CHEBI:18303)
IUPAC Name 
(2S)-2-amino-3-[[(2R)-3-[(Z)-docos-11-enoyl]oxy-2-[(Z)-tetradec-9-enoyl]oxypropoxy]-hydroxyphosphoryl]oxypropanoic acid
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