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CHEBI:230416 - SM(d19:0/PGJ2)

Default Structure
ChEBI IDCHEBI:230416
ChEBI NameSM(d19:0/PGJ2)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC44H81N2O8P
Net Charge0
Average Mass797.112
Monoisotopic Mass796.57305
SMILESCCCCCCCCCCCCCCCC[C@@H](O)[C@H](COP(=O)([O-])OCC[N+](C)(C)C)NC(=O)CCC/C=C\C[C@H]1C=CC(=O)[C@@H]1/C=C/[C@@H](O)CCCCC
InChIInChI=1S/C44H81N2O8P/c1-6-8-10-11-12-13-14-15-16-17-18-19-20-25-29-43(49)41(37-54-55(51,52)53-36-35-46(3,4)5)45-44(50)30-26-22-21-24-27-38-31-34-42(48)40(38)33-32-39(47)28-23-9-7-2/h21,24,31-34,38-41,43,47,49H,6-20,22-23,25-30,35-37H2,1-5H3,(H-,45,50,51,52)/b24-21-,33-32+/t38-,39-,40+,41-,43+/m0/s1
InChIKeyFYOKOBYXMUYSEG-PBTHEFJVSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS9100)
ChEBI Ontology
Outgoing Relation(s)
SM(d19:0/PGJ2) (CHEBI:230416) is a organic molecular entity (CHEBI:50860)
IUPAC Name 
[(2S,3R)-3-hydroxy-2-[[(Z)-7-[(1S,5R)-5-[(E,3S)-3-hydroxyoct-1-enyl]-4-oxocyclopent-2-en-1-yl]hept-5-enoyl]amino]nonadecyl] 2-(trimethylazaniumyl)ethyl phosphate
Manual XrefsDatabases
128426015ChemSpider
HMDB0290624HMDB