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CHEBI:67221 - conduritol A

ChEBI IDCHEBI:67221
ChEBI Nameconduritol A
Stars
DefinitionA conduritol in which the hydroxy groups at positions 2, 3, and 4 are in a trans,trans,cis- relationship to that at position 1.
Last Modified29 August 2012
SubmitterGareth Owen
DownloadsMolfile
FormulaC6H10O4
Net Charge0
Average Mass146.142
Monoisotopic Mass146.05791
SMILESO[C@@H]1[C@H](O)[C@@H](O)C=C[C@H]1O
InChIInChI=1S/C6H10O4/c7-3-1-2-4(8)6(10)5(3)9/h1-10H/t3-,4+,5+,6-
InChIKeyLRUBQXAKGXQBHA-GUCUJZIJSA-N
Roles Classification
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
conduritol A (CHEBI:67221) has role metabolite (CHEBI:25212)
conduritol A (CHEBI:67221) is a conduritol (CHEBI:67218)
IUPAC Name 
(1R,2S,3R,4S)-cyclohex-5-ene-1,2,3,4-tetrol
Synonyms  Source
(1S,2R,3S,4R)-cyclohex-5-ene-1,2,3,4-tetrolIUPAC
(1RS,2SR,3RS,4SR)-5-cyclohexene-1,2,3,4-tetrolChEBI
Registry NumbersSources
Reaxys:2044131Reaxys
Citations