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CHEBI:231071 - SM(d20:1/PGF1alpha)

ChEBI IDCHEBI:231071
ChEBI NameSM(d20:1/PGF1alpha)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC45H87N2O9P
Net Charge0
Average Mass831.170
Monoisotopic Mass830.61492
SMILESCCCCCCCCCCCCCCC/C=C/[C@@H](O)[C@H](COP(=O)([O-])OCC[N+](C)(C)C)NC(=O)CCCCCC[C@@H]1[C@@H](/C=C/[C@@H](O)CCCCC)[C@H](O)C[C@@H]1O
InChIInChI=1S/C45H87N2O9P/c1-6-8-10-11-12-13-14-15-16-17-18-19-20-21-26-30-42(49)41(37-56-57(53,54)55-35-34-47(3,4)5)46-45(52)31-27-23-22-25-29-39-40(44(51)36-43(39)50)33-32-38(48)28-24-9-7-2/h26,30,32-33,38-44,48-51H,6-25,27-29,31,34-37H2,1-5H3,(H-,46,52,53,54)/b30-26+,33-32+/t38-,39+,40+,41-,42+,43-,44+/m0/s1
InChIKeyOIUFSXJWVQKPBU-VZJCKMBYSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS9100)
ChEBI Ontology
Outgoing Relation(s)
SM(d20:1/PGF1alpha) (CHEBI:231071) is a phosphosphingolipid (CHEBI:35786)
IUPAC Name 
[(E,2S,3R)-2-[7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]cyclopentyl]heptanoylamino]-3-hydroxyicos-4-enyl] 2-(trimethylazaniumyl)ethyl phosphate
Manual XrefsDatabases
HMDB0290760HMDB
128426037ChemSpider