Carboxymycobactins; Carboxymycobactin 3
AlkaPlorer ID: AK045806
Synonym: None
IUPAC Name: 9-[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]-9-oxonon-7-enoic acid
Structure
SMILES: CCC(OC(=O)C(CCCCN(O)C(=O)C=CCCCCCC(=O)O)N=C(O)C1N=C(C2=CC=CC=C2O)OC1C)C(C)C(O)=NC1CCCCN(O)C1=O
InChI: InChI=1S/C38H55N5O12/c1-4-30(24(2)34(48)39-27-17-12-15-23-43(53)37(27)50)55-38(51)28(18-13-14-22-42(52)31(45)20-8-6-5-7-9-21-32(46)47)40-35(49)33-25(3)54-36(41-33)26-16-10-11-19-29(26)44/h8,10-11,16,19-20,24-25,27-28,30,33,44,52-53H,4-7,9,12-15,17-18,21-23H2,1-3H3,(H,39,48)(H,40,49)(H,46,47)
InChIKey: RVSSCFWFTZYLNF-UHFFFAOYSA-N
Reference
Novel extracellular mycobactins, the carboxymycobactins from Mycobacterium avium
PubChem CID: 162941307
LOTUS: LTS0111602
COCONUT: CNP0211670
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Mycobacterium avium | Mycobacterium | Mycobacteriaceae | Mycobacteriales | Actinomycetes | Actinomycetota | None | Bacteria |
Properties Information
Molecule Weight: 773.881
TPSA？: 251.67999999999992
MolLogP？: 4.915300000000003
Number of H-Donors: 6
Number of H-Acceptors: 12
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|