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CHEBI:231117 - PG(i-19:0/TXB2)

ChEBI IDCHEBI:231117
ChEBI NamePG(i-19:0/TXB2)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC45H83O14P
Net Charge0
Average Mass879.119
Monoisotopic Mass878.55204
SMILESCCCCC[C@H](O)/C=C/[C@H]1OC(O)C[C@H](O)[C@@H]1C/C=C\CCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCCC(C)C)COP(=O)(O)OC[C@@H](O)CO
InChIInChI=1S/C45H83O14P/c1-4-5-19-25-37(47)29-30-42-40(41(49)31-45(52)59-42)26-21-17-18-23-28-44(51)58-39(35-57-60(53,54)56-33-38(48)32-46)34-55-43(50)27-22-16-14-12-10-8-6-7-9-11-13-15-20-24-36(2)3/h17,21,29-30,36-42,45-49,52H,4-16,18-20,22-28,31-35H2,1-3H3,(H,53,54)/b21-17-,30-29+/t37-,38-,39+,40-,41-,42+,45?/m0/s1
InChIKeyFFWKZIHFIVUOFQ-HFBXPBAFSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS9100)
ChEBI Ontology
Outgoing Relation(s)
PG(i-19:0/TXB2) (CHEBI:231117) is a thromboxane (CHEBI:26995)
IUPAC Name 
[(2R)-2-[(Z)-7-[(2R,3S,4S)-4,6-dihydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]oxan-3-yl]hept-5-enoyl]oxy-3-[[(2S)-2,3-dihydroxypropoxy]-hydroxyphosphoryl]oxypropyl] 17-methyloctadecanoate
Manual XrefsDatabases
HMDB0271814HMDB
117226186ChemSpider