Clethramycin
AlkaPlorer ID: AK292689
Synonym: 58-[(Aminoiminomethyl)amino]-13,15,33,35,39,41,43,47,49,53,55-undecahydroxy-2,12,14,30-tetramethyl-31-oxo-29-sulfooxy-2,4,6,10,16,18,20,22,24,26,36,44,50-octapentacontatridecaenoic acid
IUPAC Name: (2E,4E,6E,10E,16E,18E,20E,22E,24E,26E,36E,44E,50E)-58-(diaminomethylideneamino)-13,15,33,35,39,41,43,47,49,53,55-undecahydroxy-2,12,14,30-tetramethyl-31-oxo-29-sulfooxyoctapentaconta-2,4,6,10,16,18,20,22,24,26,36,44,50-tridecaenoic acid
Structure
SMILES: C/C(=C\C=C\C=C\CC/C=C/C(C)C(O)C(C)C(O)/C=C/C=C/C=C/C=C/C=C/C=C/CC(OS(=O)(=O)O)C(C)C(=O)CC(O)CC(O)/C=C/CC(O)CC(O)CC(O)/C=C/CC(O)CC(O)/C=C/CC(O)CC(O)CCCN=C(N)N)C(=O)O
InChI: InChI=1S/C63H99N3O18S/c1-45(27-19-15-11-10-12-16-20-28-46(2)62(79)80)61(78)48(4)58(76)36-21-17-13-8-6-5-7-9-14-18-22-37-60(84-85(81,82)83)47(3)59(77)44-57(75)43-54(72)34-25-33-53(71)42-56(74)41-52(70)32-24-31-50(68)39-49(67)29-23-30-51(69)40-55(73)35-26-38-66-63(64)65/h5-10,12-14,16-25,27-29,32,34,36,45,47-58,60-61,67-76,78H,11,15,26,30-31,33,35,37-44H2,1-4H3,(H,79,80)(H4,64,65,66)(H,81,82,83)/b7-5+,8-6+,12-10+,14-9+,17-13+,20-16+,22-18+,27-19+,29-23+,32-24+,34-25+,36-21+,46-28+
InChIKey: OQRILZSNZMAVTK-MZAOIEPISA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | Streptomyces | Streptomycetaceae | Kitasatosporales | Actinomycetes | Actinomycetota | None | Bacteria |
| Streptomyces hygroscopicus | Streptomyces | Streptomycetaceae | Kitasatosporales | Actinomycetes | Actinomycetota | None | Bacteria |
Properties Information
Molecule Weight: 1218.5550000000007
TPSA？: 404.9
MolLogP？: 5.061800000000004
Number of H-Donors: 15
Number of H-Acceptors: 17
RingCount: 0
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Aspergillus fumigatus | Aspergillus fumigatus | MIC | 128.0 | ug.mL-1 | 10.1021/np060542f |
| Aspergillus niger | Aspergillus niger | MIC | 4.0 | ug.mL-1 | 10.1021/np060542f |
| Candida albicans | Candida albicans | MIC | 4.0 | ug.mL-1 | 10.1021/np060542f |
| Candida parapsilosis | Candida parapsilosis | MIC | 16.0 | ug.mL-1 | 10.1021/np060542f |
| Candida tropicalis | Candida tropicalis | MIC | 8.0 | ug.mL-1 | 10.1021/np060542f |
| Candida tropicalis | Candida tropicalis | MIC | 16.0 | ug.mL-1 | 10.1021/np060542f |
| Clavispora lusitaniae | Clavispora lusitaniae | MIC | 4.0 | ug.mL-1 | 10.1021/np060542f |
| Diutina rugosa | Diutina rugosa | MIC | 4.0 | ug.mL-1 | 10.1021/np060542f |
| Kluyveromyces marxianus | Kluyveromyces marxianus | MIC | 2.0 | ug.mL-1 | 10.1021/np060542f |
| Pichia kudriavzevii | Pichia kudriavzevii | MIC | 2.0 | ug.mL-1 | 10.1021/np060542f |