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CHEBI:187357 - PS(18:4(6Z,9Z,12Z,15Z)/14:1(9Z))

ChEBI IDCHEBI:187357
ChEBI NamePS(18:4(6Z,9Z,12Z,15Z)/14:1(9Z))
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC38H64NO10P
Net Charge0
Average Mass725.901
Monoisotopic Mass725.42678
SMILESCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC(=O)OC[C@H](COP(=O)(O)OC[C@H](N)C(=O)O)OC(=O)CCCCCCC/C=C\CCCC
InChIInChI=1S/C38H64NO10P/c1-3-5-7-9-11-13-15-16-17-18-20-21-23-25-27-29-36(40)46-31-34(32-47-50(44,45)48-33-35(39)38(42)43)49-37(41)30-28-26-24-22-19-14-12-10-8-6-4-2/h5,7,10-13,16-17,20-21,34-35H,3-4,6,8-9,14-15,18-19,22-33,39H2,1-2H3,(H,42,43)(H,44,45)/b7-5-,12-10-,13-11-,17-16-,21-20-/t34-,35+/m1/s1
InChIKeyYUVCLPLTQJUHDO-OKVRORAUSA-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(18:4(6Z,9Z,12Z,15Z)/14:1(9Z)) (CHEBI:187357) is a phosphatidyl-L-serine (CHEBI:18303)
IUPAC Name 
(2S)-2-amino-3-[hydroxy-[(2R)-3-[(6Z,9Z,12Z,15Z)-octadeca-6,9,12,15-tetraenoyl]oxy-2-[(Z)-tetradec-9-enoyl]oxypropoxy]phosphoryl]oxypropanoic acid
Manual XrefsDatabases
74875929ChemSpider
HMDB0112486HMDB
LMGP03010428LIPID MAPS