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CHEBI:90902 - 4-hydroxyprotoasukamycin

Default Structure
ChEBI IDCHEBI:90902
ChEBI Name4-hydroxyprotoasukamycin
Stars
DefinitionA tertiary alcohol that is protoasukamycin in which the 2,4-disubstituted phenol moiety has been oxidised to give the corresponding 2,4-disubstituted 4-hydroxycyclohexa-2,5-dienone. It is a precursor in the biosynthesis of asukamycin.
Last Modified7 March 2018
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC31H34N2O6
Net Charge0
Average Mass530.621
Monoisotopic Mass530.24169
SMILESO=C(/C=C/C=C/C=C/C1CCCCC1)NC1=C[C@@](O)(/C=C/C=C/C=C/C(=O)NC2=C(O)CCC2=O)C=CC1=O
InChIInChI=1S/C31H34N2O6/c34-25-19-21-31(39,20-11-4-3-10-16-29(38)33-30-26(35)17-18-27(30)36)22-24(25)32-28(37)15-9-2-1-6-12-23-13-7-5-8-14-23/h1-4,6,9-12,15-16,19-23,35,39H,5,7-8,13-14,17-18H2,(H,32,37)(H,33,38)/b2-1+,4-3+,12-6+,15-9+,16-10+,20-11+/t31-/m1/s1
InChIKeyRUBKTXQILUKTNG-DWRCUFDSSA-N
Roles Classification
Biological Role:
bacterial metabolite  Any prokaryotic metabolite produced during a metabolic reaction in bacteria.
ChEBI Ontology
Outgoing Relation(s)
4-hydroxyprotoasukamycin (CHEBI:90902) has functional parent protoasukamycin (CHEBI:90901)
4-hydroxyprotoasukamycin (CHEBI:90902) has role bacterial metabolite (CHEBI:76969)
4-hydroxyprotoasukamycin (CHEBI:90902) is a cyclic ketone (CHEBI:3992)
4-hydroxyprotoasukamycin (CHEBI:90902) is a enamide (CHEBI:51751)
4-hydroxyprotoasukamycin (CHEBI:90902) is a enol (CHEBI:33823)
4-hydroxyprotoasukamycin (CHEBI:90902) is a enone (CHEBI:51689)
4-hydroxyprotoasukamycin (CHEBI:90902) is a polyketide (CHEBI:26188)
4-hydroxyprotoasukamycin (CHEBI:90902) is a secondary carboxamide (CHEBI:140325)
4-hydroxyprotoasukamycin (CHEBI:90902) is a tertiary alcohol (CHEBI:26878)
Incoming Relation(s)
asukamycin (CHEBI:73481) has functional parent 4-hydroxyprotoasukamycin (CHEBI:90902)
IUPAC Name 
(2E,4E,6E)-7-cyclohexyl-N-[(3R)-3-hydroxy-3-{(1E,3E,5E)-7-[(2-hydroxy-5-oxocyclopent-1-en-1-yl)amino]-7-oxohepta-1,3,5-trien-1-yl}-6-oxocyclohexa-1,4-dien-1-yl]hepta-2,4,6-trienamide
UniProt Name  Source
4-hydroxyprotoasukamycinUniProt
Manual XrefsDatabases
CPD-18766MetaCyc
Registry NumbersSources
Reaxys:21442510Reaxys
Citations