Carboxymycobactins; Carboxymycobactin 7
AlkaPlorer ID: AK052068
Synonym: None
IUPAC Name: 13-[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]-13-oxotridec-11-enoic acid
Structure
SMILES: CCC(OC(=O)C(CCCCN(O)C(=O)C=CCCCCCCCCCC(=O)O)N=C(O)C1N=C(C2=CC=CC=C2O)OC1C)C(C)C(O)=NC1CCCCN(O)C1=O
InChI: InChI=1S/C42H63N5O12/c1-4-34(28(2)38(52)43-31-21-16-19-27-47(57)41(31)54)59-42(55)32(44-39(53)37-29(3)58-40(45-37)30-20-14-15-23-33(30)48)22-17-18-26-46(56)35(49)24-12-10-8-6-5-7-9-11-13-25-36(50)51/h12,14-15,20,23-24,28-29,31-32,34,37,48,56-57H,4-11,13,16-19,21-22,25-27H2,1-3H3,(H,43,52)(H,44,53)(H,50,51)
InChIKey: QEZDNMHEGBSHQS-UHFFFAOYSA-N
Reference
Novel extracellular mycobactins, the carboxymycobactins from Mycobacterium avium
PubChem CID: 163062565
LOTUS: LTS0010610
COCONUT: CNP0352563
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Mycobacterium avium | Mycobacterium | Mycobacteriaceae | Mycobacteriales | Actinomycetes | Actinomycetota | None | Bacteria |
Properties Information
Molecule Weight: 829.9890000000001
TPSA？: 251.67999999999992
MolLogP？: 6.475700000000006
Number of H-Donors: 6
Number of H-Acceptors: 12
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|