CHEBI:90902 - 4-hydroxyprotoasukamycin

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ChEBI Name 4-hydroxyprotoasukamycin ChEBI ID CHEBI:90902 Definition A 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. Stars This entity has been manually annotated by the ChEBI Team. Submitter Kristian Axelsen Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C31H34N2O6 Net Charge 0 Average Mass 530.613 Monoisotopic Mass 530.24169 InChI InChI=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 InChIKey RUBKTXQILUKTNG-DWRCUFDSSA-N SMILES C1(C=C[C@@](C=C1NC(/C=C/C=C/C=C/C2CCCCC2)=O)(/C=C/C=C/C=C/C(NC3=C(CCC3=O)O)=O)O)=O Roles Classification Biological Role(s): bacterial metabolite Any prokaryotic metabolite produced during a metabolic reaction in bacteria. View more via ChEBI Ontology ChEBI Ontology Outgoing 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 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 Synonym Source 4-hydroxyprotoasukamycin UniProt Manual Xref Database CPD-18766 MetaCyc View more database links Registry Number Type Source 21442510 Reaxys Registry Number Reaxys Citation Type Source 23890006 PubMed citation SUBMITTER Last Modified 07 March 2018