Carboxymycobactins; Carboxymycobactin 1
AlkaPlorer ID: AK067606
Synonym: None
IUPAC Name: 7-[hydroxy-[6-[1-[(1-hydroxy-2-oxoazepan-3-yl)amino]-2-methyl-1-oxopentan-3-yl]oxy-5-[[2-(2-hydroxyphenyl)-5-methyl-4,5-dihydro-1,3-oxazole-4-carbonyl]amino]-6-oxohexyl]amino]-7-oxohept-5-enoic acid
Structure
SMILES: CCC(OC(=O)C(CCCCN(O)C(=O)C=CCCCC(=O)O)N=C(O)C1N=C(C2=CC=CC=C2O)OC1C)C(C)C(O)=NC1CCCCN(O)C1=O
InChI: InChI=1S/C36H51N5O12/c1-4-28(22(2)32(46)37-25-15-10-13-21-41(51)35(25)48)53-36(49)26(16-11-12-20-40(50)29(43)18-6-5-7-19-30(44)45)38-33(47)31-23(3)52-34(39-31)24-14-8-9-17-27(24)42/h6,8-9,14,17-18,22-23,25-26,28,31,42,50-51H,4-5,7,10-13,15-16,19-21H2,1-3H3,(H,37,46)(H,38,47)(H,44,45)
InChIKey: DFMPEYMVNJZUPH-UHFFFAOYSA-N
Reference
Novel extracellular mycobactins, the carboxymycobactins from Mycobacterium avium
PubChem CID: 163062566
LOTUS: LTS0264841
COCONUT: CNP0352564
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Mycobacterium avium | Mycobacterium | Mycobacteriaceae | Mycobacteriales | Actinomycetes | Actinomycetota | None | Bacteria |
Properties Information
Molecule Weight: 745.8269999999999
TPSA？: 251.67999999999992
MolLogP？: 4.135100000000001
Number of H-Donors: 6
Number of H-Acceptors: 12
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|