Carboxymycobactins; Carboxymycobactin 6
AlkaPlorer ID: AK067612
Synonym: None
IUPAC Name: 12-[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]-12-oxododec-10-enoic acid
Structure
SMILES: CCC(OC(=O)C(CCCCN(O)C(=O)C=CCCCCCCCCC(=O)O)N=C(O)C1N=C(C2=CC=CC=C2O)OC1C)C(C)C(O)=NC1CCCCN(O)C1=O
InChI: InChI=1S/C41H61N5O12/c1-4-33(27(2)37(51)42-30-20-15-18-26-46(56)40(30)53)58-41(54)31(43-38(52)36-28(3)57-39(44-36)29-19-13-14-22-32(29)47)21-16-17-25-45(55)34(48)23-11-9-7-5-6-8-10-12-24-35(49)50/h11,13-14,19,22-23,27-28,30-31,33,36,47,55-56H,4-10,12,15-18,20-21,24-26H2,1-3H3,(H,42,51)(H,43,52)(H,49,50)
InChIKey: BYSSOXZYTLAFLQ-UHFFFAOYSA-N
Reference
Novel extracellular mycobactins, the carboxymycobactins from Mycobacterium avium
PubChem CID: 162939069
LOTUS: LTS0122571
COCONUT: CNP0209330
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Mycobacterium avium | Mycobacterium | Mycobacteriaceae | Mycobacteriales | Actinomycetes | Actinomycetota | None | Bacteria |
Properties Information
Molecule Weight: 815.9620000000001
TPSA？: 251.67999999999992
MolLogP？: 6.085600000000005
Number of H-Donors: 6
Number of H-Acceptors: 12
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|