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CHEBI:7753 - oligomycin D

Default Structure
ChEBI IDCHEBI:7753
ChEBI Nameoligomycin D
Stars
DefinitionAn oligomycin with formula C44H72O11 that is oligomycin A in which the methyl substituent adjacent to the spirocyclic centre has been replaced by a hydrogen.
Last Modified24 June 2021
DownloadsMolfile
FormulaC44H72O11
Net Charge0
Average Mass777.049
Monoisotopic Mass776.50746
SMILESCC[C@H]1/C=C/C=C/C[C@@H](C)[C@H](O)[C@@](C)(O)C(=O)[C@@H](C)[C@H](O)[C@@H](C)C(=O)[C@@H](C)[C@H](O)[C@@H](C)/C=C/C(=O)O[C@H]2C[C@@]3(CC[C@H](C)[C@H](C[C@@H](C)O)O3)O[C@@H](CC1)[C@H]2C
InChIInChI=1S/C44H72O11/c1-11-33-16-14-12-13-15-27(4)41(50)43(10,52)42(51)32(9)40(49)31(8)39(48)30(7)38(47)26(3)17-20-37(46)53-36-24-44(54-34(19-18-33)29(36)6)22-21-25(2)35(55-44)23-28(5)45/h12-14,16-17,20,25-36,38,40-41,45,47,49-50,52H,11,15,18-19,21-24H2,1-10H3/b13-12+,16-14+,20-17+/t25-,26-,27+,28+,29+,30-,31-,32-,33-,34-,35-,36-,38+,40+,41-,43+,44-/m0/s1
InChIKeyLVWVMRBMGDJZLM-BONFEJLISA-N
Roles Classification
Biological Roles:
EC 3.6.3.14 (H(+)-transporting two-sector ATPase) inhibitor  An EC 3.6.3.* (acid anhydride hydrolase catalysing transmembrane movement of substances) inhibitor that interferes with the action of H+-transporting two-sector ATPase inhibitor (EC 3.6.3.14).
ATP synthase inhibitor  A mitochondrial respiratory-chain inhibitor that interferes with the action of ATP synthase.
bacterial metabolite  Any prokaryotic metabolite produced during a metabolic reaction in bacteria.
antimicrobial agent  A substance that kills or slows the growth of microorganisms, including bacteria, viruses, fungi and protozoans.
antimicrobial agent  A substance that kills or slows the growth of microorganisms, including bacteria, viruses, fungi and protozoans.
antifungal agent  An antimicrobial agent that destroys fungi by suppressing their ability to grow or reproduce.
antimicrobial agent  A substance that kills or slows the growth of microorganisms, including bacteria, viruses, fungi and protozoans.
Applications:
nematicide  A substance used to destroy pests of the phylum Nematoda (roundworms).
antineoplastic agent  A substance that inhibits or prevents the proliferation of neoplasms.
ChEBI Ontology
Outgoing Relation(s)
oligomycin D (CHEBI:7753) has role antineoplastic agent (CHEBI:35610)
oligomycin D (CHEBI:7753) has role EC 3.6.3.14 (H+-transporting two-sector ATPase) inhibitor (CHEBI:73214)
oligomycin D (CHEBI:7753) has role nematicide (CHEBI:25491)
oligomycin D (CHEBI:7753) is a antibiotic antifungal agent (CHEBI:86478)
oligomycin D (CHEBI:7753) is a oligomycin (CHEBI:25675)
oligomycin D (CHEBI:7753) is a pentol (CHEBI:37205)
oligomycin D (CHEBI:7753) is a triketone (CHEBI:140322)
IUPAC Name 
(1S,4E,5'S,6S,6'S,7R,8S,10R,11R,12S,14R,15S,16R,18E,20E,22R,25S,27R,29R)-22-ethyl-7,11,14,15-tetrahydroxy-6'-[(2R)-2-hydroxypropyl]-5',6,8,10,12,14,16,29-octamethyl-3',4',5',6'-tetrahydro-3H,9H,13H-spiro[2,26-dioxabicyclo[23.3.1]nonacosa-4,18,20-triene-27,2'-pyran]-3,9,13-trione
INNs  Source
rutamicinaChemIDplus
rutamycinChemIDplus
rutamycineChemIDplus
rutamycinumChemIDplus
Synonyms  Source
26-demethyloligomycin AChemIDplus
A 272ChemIDplus
A-272ChemIDplus
antibiotic A 272ChemIDplus
rutamycin AChEBI
Manual XrefsDatabases
C11314KEGG COMPOUND
CPD-21959MetaCyc
D05778KEGG DRUG
Registry NumbersSources
CAS:1404-59-7KEGG COMPOUND
CAS:1404-59-7ChemIDplus
Citations