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CHEBI:230987 - SM(d18:1/5-iso PGF2VI)

ChEBI IDCHEBI:230987
ChEBI NameSM(d18:1/5-iso PGF2VI)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC41H77N2O9P
Net Charge0
Average Mass773.046
Monoisotopic Mass772.53667
SMILESCCCCCCCCCCCCC/C=C/[C@@H](O)[C@H](COP(=O)([O-])OCC[N+](C)(C)C)NC(=O)C/C=C\C[C@H]1[C@@H](/C=C/[C@H](O)CCCCC)[C@H](O)C[C@@H]1O
InChIInChI=1S/C41H77N2O9P/c1-6-8-10-11-12-13-14-15-16-17-18-19-21-26-38(45)37(33-52-53(49,50)51-31-30-43(3,4)5)42-41(48)27-23-22-25-35-36(40(47)32-39(35)46)29-28-34(44)24-20-9-7-2/h21-23,26,28-29,34-40,44-47H,6-20,24-25,27,30-33H2,1-5H3,(H-,42,48,49,50)/b23-22-,26-21+,29-28+/t34-,35+,36-,37+,38-,39+,40-/m1/s1
InChIKeyQTJLKYDKJYEXHO-HQWCFCBCSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS9100)
ChEBI Ontology
Outgoing Relation(s)
SM(d18:1/5-iso PGF2VI) (CHEBI:230987) is a phosphosphingolipid (CHEBI:35786)
IUPAC Name 
[(E,2S,3R)-2-[[(Z)-5-[(1S,2R,3R,5S)-3,5-dihydroxy-2-[(E,3R)-3-hydroxyoct-1-enyl]cyclopentyl]pent-3-enoyl]amino]-3-hydroxyoctadec-4-enyl] 2-(trimethylazaniumyl)ethyl phosphate
Manual XrefsDatabases
HMDB0290526HMDB
128425998ChemSpider