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CHEBI:196432 - PS(21:0/20:3(8Z,11Z,14Z))

ChEBI IDCHEBI:196432
ChEBI NamePS(21:0/20:3(8Z,11Z,14Z))
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SubmitterMetaboLights
DownloadsMolfile
FormulaC47H86NO10P
Net Charge0
Average Mass856.176
Monoisotopic Mass855.59893
SMILESCCCCC/C=C\C/C=C\C/C=C\CCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCCCCCCC)COP(=O)(O)OC[C@H](N)C(=O)O
InChIInChI=1S/C47H86NO10P/c1-3-5-7-9-11-13-15-17-19-21-23-24-26-28-30-32-34-36-38-45(49)55-40-43(41-56-59(53,54)57-42-44(48)47(51)52)58-46(50)39-37-35-33-31-29-27-25-22-20-18-16-14-12-10-8-6-4-2/h12,14,18,20,25,27,43-44H,3-11,13,15-17,19,21-24,26,28-42,48H2,1-2H3,(H,51,52)(H,53,54)/b14-12-,20-18-,27-25-/t43-,44+/m1/s1
InChIKeyZVCHLEVHFZLUBI-RXZGSDMMSA-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(21:0/20:3(8Z,11Z,14Z)) (CHEBI:196432) is a phosphatidyl-L-serine (CHEBI:18303)
IUPAC Name 
(2S)-2-amino-3-[[(2R)-3-henicosanoyloxy-2-[(8Z,11Z,14Z)-icosa-8,11,14-trienoyl]oxypropoxy]-hydroxyphosphoryl]oxypropanoic acid
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