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CHEBI:231048 - SM(d18:2(4E,14Z)/TXB2)

ChEBI IDCHEBI:231048
ChEBI NameSM(d18:2(4E,14Z)/TXB2)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC43H79N2O10P
Net Charge0
Average Mass815.083
Monoisotopic Mass814.54723
SMILESCCC/C=C\CCCCCCCC/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](O)CC(O)O[C@@H]1/C=C/[C@@H](O)CCCCC
InChIInChI=1S/C43H79N2O10P/c1-6-8-10-11-12-13-14-15-16-17-18-19-24-28-39(47)38(35-54-56(51,52)53-33-32-45(3,4)5)44-42(49)29-25-21-20-23-27-37-40(48)34-43(50)55-41(37)31-30-36(46)26-22-9-7-2/h10-11,20,23-24,28,30-31,36-41,43,46-48,50H,6-9,12-19,21-22,25-27,29,32-35H2,1-5H3,(H-,44,49,51,52)/b11-10-,23-20-,28-24+,31-30+/t36-,37-,38-,39+,40-,41+,43?/m0/s1
InChIKeyIWSYJJNDWNKMJD-WFPKBTJNSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS9100)
ChEBI Ontology
Outgoing Relation(s)
SM(d18:2(4E,14Z)/TXB2) (CHEBI:231048) is a thromboxane (CHEBI:26995)
IUPAC Name 
[(2S,3R,4E,14Z)-2-[[(Z)-7-[(2R,3S,4S)-4,6-dihydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]oxan-3-yl]hept-5-enoyl]amino]-3-hydroxyoctadeca-4,14-dienyl] 2-(trimethylazaniumyl)ethyl phosphate
Manual XrefsDatabases
HMDB0290575HMDB