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CHEBI:187278 - OKDdiA-PS

ChEBI IDCHEBI:187278
ChEBI NameOKDdiA-PS
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC36H62NO13P
Net Charge0
Average Mass747.860
Monoisotopic Mass747.39588
SMILESCCCCCCCC/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)(O)OC[C@H](N)C(=O)O)OC(=O)CCCCCCCC(=O)/C=C/C(=O)O
InChIInChI=1S/C36H62NO13P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-20-23-34(41)47-27-31(28-48-51(45,46)49-29-32(37)36(43)44)50-35(42)24-21-18-15-16-19-22-30(38)25-26-33(39)40/h9-10,25-26,31-32H,2-8,11-24,27-29,37H2,1H3,(H,39,40)(H,43,44)(H,45,46)/b10-9-,26-25+/t31-,32+/m1/s1
InChIKeyWBWTWUZHYUOEGI-WUOSZTNESA-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)
OKDdiA-PS (CHEBI:187278) is a phosphatidyl-L-serine (CHEBI:18303)
IUPAC Name 
(E)-12-[(2R)-1-[[(2S)-2-amino-2-carboxyethoxy]-hydroxyphosphoryl]oxy-3-[(Z)-octadec-9-enoyl]oxypropan-2-yl]oxy-4,12-dioxododec-2-enoic acid
Manual XrefsDatabases
113380912ChemSpider
LMGP20040034LIPID MAPS