EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:231040 - PC(DiMe(11,5)/MonoMe(11,3))

ChEBI IDCHEBI:231040
ChEBI NamePC(DiMe(11,5)/MonoMe(11,3))
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC49H87NO10P
Net Charge+1
Average Mass881.206
Monoisotopic Mass880.60621
SMILESCCCCCc1oc(CCCCCCCCCCC(=O)OCC(COP(=O)(O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCc2oc(CCC)cc2C)c(C)c1C
InChIInChI=1S/C49H86NO10P/c1-9-11-24-31-46-41(4)42(5)47(60-46)32-26-21-17-13-14-18-22-27-33-48(51)55-38-44(39-57-61(53,54)56-36-35-50(6,7)8)59-49(52)34-28-23-19-15-12-16-20-25-30-45-40(3)37-43(58-45)29-10-2/h37,44H,9-36,38-39H2,1-8H3/p+1
InChIKeyRNIHMPPKBYAUGJ-UHFFFAOYSA-O
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS9100)
ChEBI Ontology
Outgoing Relation(s)
PC(DiMe(11,5)/MonoMe(11,3)) (CHEBI:231040) is a 1,2-diacyl-sn-glycero-3-phosphocholine (CHEBI:57643)
IUPAC Name 
2-[[3-[11-(3,4-dimethyl-5-pentyluran-2-yl)undecanoyloxy]-2-[11-(3-methyl-5-propyluran-2-yl)undecanoyloxy]propoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium
Manual XrefsDatabases
HMDB0061404HMDB