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CHEBI:187293 - PS(13:0/12:0)

ChEBI IDCHEBI:187293
ChEBI NamePS(13:0/12:0)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC31H60NO10P
Net Charge0
Average Mass637.792
Monoisotopic Mass637.39548
SMILESCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OC[C@H](N)C(=O)O)OC(=O)CCCCCCCCCCC
InChIInChI=1S/C31H60NO10P/c1-3-5-7-9-11-13-15-16-18-20-22-29(33)39-24-27(25-40-43(37,38)41-26-28(32)31(35)36)42-30(34)23-21-19-17-14-12-10-8-6-4-2/h27-28H,3-26,32H2,1-2H3,(H,35,36)(H,37,38)/t27-,28+/m1/s1
InChIKeyXOIRUWADSSLMFL-IZLXSDGUSA-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(13:0/12:0) (CHEBI:187293) is a phosphatidyl-L-serine (CHEBI:18303)
IUPAC Name 
(2S)-2-amino-3-[[(2R)-2-dodecanoyloxy-3-tridecanoyloxypropoxy]-hydroxyphosphoryl]oxypropanoic acid
Manual XrefsDatabases
113376095ChemSpider
LMGP03010068LIPID MAPS