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CHEBI:186876 - PS(DiMe(11,5)/MonoMe(11,5))

ChEBI IDCHEBI:186876
ChEBI NamePS(DiMe(11,5)/MonoMe(11,5))
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC49H84NO12P
Net Charge0
Average Mass910.180
Monoisotopic Mass909.57311
SMILESCCCCCc1cc(C)c(CCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCc2oc(CCCCC)c(C)c2C)COP(=O)(O)OCC(N)C(=O)O)o1
InChIInChI=1S/C49H84NO12P/c1-6-8-22-28-41-34-38(3)44(60-41)29-24-18-14-10-13-17-21-27-33-48(52)61-42(36-58-63(55,56)59-37-43(50)49(53)54)35-57-47(51)32-26-20-16-12-11-15-19-25-31-46-40(5)39(4)45(62-46)30-23-9-7-2/h34,42-43H,6-33,35-37,50H2,1-5H3,(H,53,54)(H,55,56)
InChIKeyRMPARCFPBKUTMF-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(11,5)/MonoMe(11,5)) (CHEBI:186876) is a phosphatidyl-L-serine (CHEBI:18303)
IUPAC Name 
2-amino-3-[[3-[11-(3,4-dimethyl-5-pentyluran-2-yl)undecanoyloxy]-2-[11-(3-methyl-5-pentyluran-2-yl)undecanoyloxy]propoxy]-hydroxyphosphoryl]oxypropanoic acid
Manual XrefsDatabases
74849539ChemSpider
HMDB0061567HMDB