EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:231043 - SM(d18:1/PGF2alpha)

ChEBI IDCHEBI:231043
ChEBI NameSM(d18:1/PGF2alpha)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC43H81N2O9P
Net Charge0
Average Mass801.100
Monoisotopic Mass800.56797
SMILESCCCCCCCCCCCCC/C=C/[C@@H](O)[C@H](COP(=O)([O-])OCC[N+](C)(C)C)NC(=O)CCC/C=C/C[C@@H]1[C@@H](/C=C/[C@@H](O)CCCCC)[C@H](O)C[C@@H]1O
InChIInChI=1S/C43H81N2O9P/c1-6-8-10-11-12-13-14-15-16-17-18-19-24-28-40(47)39(35-54-55(51,52)53-33-32-45(3,4)5)44-43(50)29-25-21-20-23-27-37-38(42(49)34-41(37)48)31-30-36(46)26-22-9-7-2/h20,23-24,28,30-31,36-42,46-49H,6-19,21-22,25-27,29,32-35H2,1-5H3,(H-,44,50,51,52)/b23-20+,28-24+,31-30+/t36-,37+,38+,39-,40+,41-,42+/m0/s1
InChIKeySPNWRKRSQONNGJ-PHIADWFGSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS9100)
ChEBI Ontology
Outgoing Relation(s)
SM(d18:1/PGF2alpha) (CHEBI:231043) is a phosphosphingolipid (CHEBI:35786)
IUPAC Name 
[(E,2S,3R)-2-[[(E)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]cyclopentyl]hept-5-enoyl]amino]-3-hydroxyoctadec-4-enyl] 2-(trimethylazaniumyl)ethyl phosphate
Manual XrefsDatabases
HMDB0290519HMDB
128425996ChemSpider