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CHEBI:185946 - PS(DiMe(11,3)/MonoMe(11,3))

ChEBI IDCHEBI:185946
ChEBI NamePS(DiMe(11,3)/MonoMe(11,3))
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC45H76NO12P
Net Charge0
Average Mass854.072
Monoisotopic Mass853.51051
SMILESCCCc1cc(C)c(CCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCc2oc(CCC)c(C)c2C)COP(=O)(O)OCC(N)C(=O)O)o1
InChIInChI=1S/C45H76NO12P/c1-6-24-37-30-34(3)40(56-37)26-20-16-12-8-11-15-19-23-29-44(48)57-38(32-54-59(51,52)55-33-39(46)45(49)50)31-53-43(47)28-22-18-14-10-9-13-17-21-27-42-36(5)35(4)41(58-42)25-7-2/h30,38-39H,6-29,31-33,46H2,1-5H3,(H,49,50)(H,51,52)
InChIKeyUFPATSMMJDLXQS-UHFFFAOYSA-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(DiMe(11,3)/MonoMe(11,3)) (CHEBI:185946) is a phosphatidyl-L-serine (CHEBI:18303)
IUPAC Name 
2-amino-3-[[3-[11-(3,4-dimethyl-5-propyluran-2-yl)undecanoyloxy]-2-[11-(3-methyl-5-propyluran-2-yl)undecanoyloxy]propoxy]-hydroxyphosphoryl]oxypropanoic acid
Manual XrefsDatabases
74849529ChemSpider
HMDB0061557HMDB