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CHEBI:187257 - PS(15:0/22:0)

Default Structure
ChEBI IDCHEBI:187257
ChEBI NamePS(15:0/22:0)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC43H84NO10P
Net Charge0
Average Mass806.116
Monoisotopic Mass805.58328
SMILESCCCCCCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCC)COP(=O)(O)OC[C@H](N)C(=O)O
InChIInChI=1S/C43H84NO10P/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-25-27-29-31-33-35-42(46)54-39(37-52-55(49,50)53-38-40(44)43(47)48)36-51-41(45)34-32-30-28-26-24-16-14-12-10-8-6-4-2/h39-40H,3-38,44H2,1-2H3,(H,47,48)(H,49,50)/t39-,40+/m1/s1
InChIKeyHCJXCECWFHKWJZ-PVXQIPPMSA-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(15:0/22:0) (CHEBI:187257) is a phosphatidyl-L-serine (CHEBI:18303)
IUPAC Name 
(2S)-2-amino-3-[[(2R)-2-docosanoyloxy-3-pentadecanoyloxypropoxy]-hydroxyphosphoryl]oxypropanoic acid
Manual XrefsDatabases
74875779ChemSpider
HMDB0112334HMDB
LMGP03010156LIPID MAPS