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CHEBI:187560 - PS(16:0/18:4(6Z,9Z,12Z,15Z))

ChEBI IDCHEBI:187560
ChEBI NamePS(16:0/18:4(6Z,9Z,12Z,15Z))
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC40H70NO10P
Net Charge0
Average Mass755.971
Monoisotopic Mass755.47373
SMILESCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCC)COP(=O)(O)OC[C@H](N)C(=O)O
InChIInChI=1S/C40H70NO10P/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-39(43)51-36(34-49-52(46,47)50-35-37(41)40(44)45)33-48-38(42)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h5,7,11,13,17-18,22,24,36-37H,3-4,6,8-10,12,14-16,19-21,23,25-35,41H2,1-2H3,(H,44,45)(H,46,47)/b7-5-,13-11-,18-17-,24-22-/t36-,37+/m1/s1
InChIKeyGBTDOFPMHJZFDM-MYKBXWOPSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
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(16:0/18:4(6Z,9Z,12Z,15Z)) (CHEBI:187560) is a phosphatidyl-L-serine (CHEBI:18303)
IUPAC Name 
(2S)-2-amino-3-[[(2R)-3-hexadecanoyloxy-2-[(6Z,9Z,12Z,15Z)-octadeca-6,9,12,15-tetraenoyl]oxypropoxy]-hydroxyphosphoryl]oxypropanoic acid
Manual XrefsDatabases
74875789ChemSpider
HMDB0112344HMDB
LMGP03010904LIPID MAPS