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CHEBI:187628 - PS(14:1(9Z)/20:4(5Z,8Z,11Z,14Z))

ChEBI IDCHEBI:187628
ChEBI NamePS(14:1(9Z)/20:4(5Z,8Z,11Z,14Z))
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC40H68NO10P
Net Charge0
Average Mass753.955
Monoisotopic Mass753.45808
SMILESCCCC/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)(O)OC[C@H](N)C(=O)O)OC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC
InChIInChI=1S/C40H68NO10P/c1-3-5-7-9-11-13-15-16-17-18-19-20-22-24-26-28-30-32-39(43)51-36(34-49-52(46,47)50-35-37(41)40(44)45)33-48-38(42)31-29-27-25-23-21-14-12-10-8-6-4-2/h10-13,16-17,19-20,24,26,36-37H,3-9,14-15,18,21-23,25,27-35,41H2,1-2H3,(H,44,45)(H,46,47)/b12-10-,13-11-,17-16-,20-19-,26-24-/t36-,37+/m1/s1
InChIKeyABIKEVIWOJTKQS-LQSVUOEBSA-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(14:1(9Z)/20:4(5Z,8Z,11Z,14Z)) (CHEBI:187628) is a phosphatidyl-L-serine (CHEBI:18303)
IUPAC Name 
(2S)-2-amino-3-[hydroxy-[(2R)-2-[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoyl]oxy-3-[(Z)-tetradec-9-enoyl]oxypropoxy]phosphoryl]oxypropanoic acid
Manual XrefsDatabases
35032455ChemSpider
HMDB0012350HMDB
LMGP03010131LIPID MAPS