Compound ID | 2729

Update compound information

Scopafungin

Synonym(s): U-29,479  |  Niphimycin

Class: Natural product antibiotic

Agent Type: Natural product; Direct acting;
Spectrum of activity: Gram-positive
Mechanism of action: NADH dehydrogenase inhibitor
Target Pathogen: Active against Staphylococcus aureus and Streptococcus pneumoniae
Description: Natural product from Streptomyces hygroscopicus var. enhygrus; also shows antifungal activity
Year first mentioned: 1971
Development status: Experimental
Chemical structure(s):
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Molecular weight: 1142.46
Iso. SMILES: CC1CCC(C(C(CC(C(/C=C/C(C(C(=O)OC(C(/C=C/C=C/C(C(C(CC(CC(CC2CC(C(C(O2)(CC1O)O)O)O)OC(=O)CC(=O)O)O)O)C)O)C)C(C)CC(C)CCC/C=C/CCCNC(=NC)N)C)O)C)O)O)C)O
InChI Key: VAYOSPAPALLOIO-GCLDGCTISA-N
Can. SMILES: CC(CCC/C=C/CCCNC(=NC)N)CC(C)C1C(C)/C=C/C=C/C(C(C)C(CC(CC(CC2CC(C(C(CC(C(C)CCC(C(C)C(CC(C(C)/C=C/C(C(C)C(=O)O1)O)O)O)O)O)(O)O2)O)O)OC(=O)CC(=O)O)O)O)O
InChI: InChI=1S/C59H103N3O18/c1-34(18-14-12-10-11-13-17-25-62-58(60)61-9)26-38(5)55-37(4)19-15-16-20-45(64)39(6)49(68)28-42(63)27-43(78-54(74)32-53(72)73)29-44-30-51(70)56(75)59(77,80-44)33-52(71)36(3)22-23-46(65)40(7)50(69)31-48(67)35(2)21-24-47(66)41(8)57(76)79-55/h10-11,15-16,19-21,24,34-52,55-56,63-71,75,77H,12-14,17-18,22-23,25-33H2,1-9H3,(H,72,73)(H3,60,61,62)/b11-10+,19-15+,20-16+,24-21+
External links:
PubChem link: https://pubchem.ncbi.nlm.nih.gov/compound/20055508
Citations:
  • https://academic.oup.com/femsle/article/291/2/157/501881?login=true
  • https://journals.asm.org/doi/epdf/10.1128/am.22.3.303-308.1971

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