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CHEBI:152570 - butremycin

ChEBI IDCHEBI:152570
ChEBI Namebutremycin
Stars
DefinitionA polyketide macrolactam containing a tetramic acid (pyrrolidine-2,4-dione) ring system. It is the 3-hydroxyl derivative of ikarugamycin and isolated from Micromonospora sp. K310.
Last Modified3 June 2020
DownloadsMolfile
FormulaC29H38N2O5
Net Charge0
Average Mass494.632
Monoisotopic Mass494.27807
SMILES[H][C@]12C=C[C@@]3([H])[C@H](CC)[C@H](C)C[C@]3([H])[C@@]1([H])C[C@@]1([H])/C=C/C(=O)C3=C(O)[C@@]([H])(NC3=O)[C@H](O)CCNC(=O)/C=C\C[C@]21[H]
InChIInChI=1S/C29H38N2O5/c1-3-17-15(2)13-21-19(17)8-9-20-18-5-4-6-25(34)30-12-11-24(33)27-28(35)26(29(36)31-27)23(32)10-7-16(18)14-22(20)21/h4,6-10,15-22,24,27,33,35H,3,5,11-14H2,1-2H3,(H,30,34)(H,31,36)/b6-4-,10-7+/t15-,16-,17-,18+,19+,20-,21+,22+,24-,27+/m1/s1
InChIKeyIJOMIIDEKGZJJF-KSCHHOEWSA-N
Species of MetaboliteComponentSourceComments
Micromonospora sp. (ncbitaxon:1876) cell suspension culture (BTO:0000221) PubMed (24534843) Strain: K310
Roles Classification
Biological Roles:
bacterial metabolite  Any prokaryotic metabolite produced during a metabolic reaction in bacteria.
antibacterial agent  A substance (or active part thereof) that kills or slows the growth of bacteria.
marine metabolite  Any metabolite produced during a metabolic reaction in marine macro- and microorganisms.
ChEBI Ontology
Outgoing Relation(s)
butremycin (CHEBI:152570) has functional parent ikarugamycin (CHEBI:75276)
butremycin (CHEBI:152570) has role antibacterial agent (CHEBI:33282)
butremycin (CHEBI:152570) has role bacterial metabolite (CHEBI:76969)
butremycin (CHEBI:152570) has role marine metabolite (CHEBI:76507)
butremycin (CHEBI:152570) is a azamacrocycle (CHEBI:52898)
butremycin (CHEBI:152570) is a enone (CHEBI:51689)
butremycin (CHEBI:152570) is a lactam (CHEBI:24995)
butremycin (CHEBI:152570) is a organic heteropentacyclic compound (CHEBI:38164)
butremycin (CHEBI:152570) is a polyketide (CHEBI:26188)
IUPAC Name 
(2R,3R,3aS,5aR,5bS,7Z,13R,14S,19E,20aS,21aR,21bR)-3-ethyl-13,22-dihydroxy-2-methyl-2,3,3a,5a,5b,6,10,11,12,13,14,15,20a,21,21a,21b-hexadecahydro-1H-14,17-(metheno)-as-indaceno[3,2-k][1,6]diazacycloheptadecine-9,16,18(17H)-trione
Citations