EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:185083 - OKOHA-PS

ChEBI IDCHEBI:185083
ChEBI NameOKOHA-PS
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC31H52NO12P
Net Charge0
Average Mass661.726
Monoisotopic Mass661.32271
SMILESCCCCCCCC/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)(O)OC[C@H](N)C(=O)O)OC(=O)CCC(=O)/C=C/C=O
InChIInChI=1S/C31H52NO12P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-29(35)41-23-27(44-30(36)21-20-26(34)18-17-22-33)24-42-45(39,40)43-25-28(32)31(37)38/h9-10,17-18,22,27-28H,2-8,11-16,19-21,23-25,32H2,1H3,(H,37,38)(H,39,40)/b10-9-,18-17+/t27-,28+/m1/s1
InChIKeyRTHWNGXHFQYYOB-PTCKSKGOSA-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)
OKOHA-PS (CHEBI:185083) is a phosphatidyl-L-serine (CHEBI:18303)
IUPAC Name 
(2S)-2-amino-3-[[(2R)-2-[(E)-4,7-dioxohept-5-enoyl]oxy-3-[(Z)-octadec-9-enoyl]oxypropoxy]-hydroxyphosphoryl]oxypropanoic acid
Manual XrefsDatabases
113380903ChemSpider
LMGP20040025LIPID MAPS