Carboxymycobactins; Carboxymycobactin 2
AlkaPlorer ID: AK067587
Synonym: None
IUPAC Name: 8-[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]-8-oxooct-6-enoic acid
Structure
SMILES: CCC(OC(=O)C(CCCCN(O)C(=O)C=CCCCCC(=O)O)N=C(O)C1N=C(C2=CC=CC=C2O)OC1C)C(C)C(O)=NC1CCCCN(O)C1=O
InChI: InChI=1S/C37H53N5O12/c1-4-29(23(2)33(47)38-26-16-11-14-22-42(52)36(26)49)54-37(50)27(17-12-13-21-41(51)30(44)19-7-5-6-8-20-31(45)46)39-34(48)32-24(3)53-35(40-32)25-15-9-10-18-28(25)43/h7,9-10,15,18-19,23-24,26-27,29,32,43,51-52H,4-6,8,11-14,16-17,20-22H2,1-3H3,(H,38,47)(H,39,48)(H,45,46)
InChIKey: JORHSMOFGIVRFR-UHFFFAOYSA-N
Reference
Novel extracellular mycobactins, the carboxymycobactins from Mycobacterium avium
PubChem CID: 162890893
LOTUS: LTS0203899
COCONUT: CNP0157834
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Mycobacterium avium | Mycobacterium | Mycobacteriaceae | Mycobacteriales | Actinomycetes | Actinomycetota | None | Bacteria |
Properties Information
Molecule Weight: 759.8539999999999
TPSA？: 251.67999999999992
MolLogP？: 4.5252000000000026
Number of H-Donors: 6
Number of H-Acceptors: 12
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|