Carboxymycobactins; Carboxymycobactin 5
AlkaPlorer ID: AK067596
Synonym: None
IUPAC Name: 11-[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]-11-oxoundec-9-enoic acid
Structure
SMILES: CCC(OC(=O)C(CCCCN(O)C(=O)C=CCCCCCCCC(=O)O)N=C(O)C1N=C(C2=CC=CC=C2O)OC1C)C(C)C(O)=NC1CCCCN(O)C1=O
InChI: InChI=1S/C40H59N5O12/c1-4-32(26(2)36(50)41-29-19-14-17-25-45(55)39(29)52)57-40(53)30(42-37(51)35-27(3)56-38(43-35)28-18-12-13-21-31(28)46)20-15-16-24-44(54)33(47)22-10-8-6-5-7-9-11-23-34(48)49/h10,12-13,18,21-22,26-27,29-30,32,35,46,54-55H,4-9,11,14-17,19-20,23-25H2,1-3H3,(H,41,50)(H,42,51)(H,48,49)
InChIKey: GBGPUWKHRHOTOT-UHFFFAOYSA-N
Reference
Novel extracellular mycobactins, the carboxymycobactins from Mycobacterium avium
PubChem CID: 162934058
LOTUS: LTS0154231
COCONUT: CNP0204088
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Mycobacterium avium | Mycobacterium | Mycobacteriaceae | Mycobacteriales | Actinomycetes | Actinomycetota | None | Bacteria |
Properties Information
Molecule Weight: 801.9350000000001
TPSA？: 251.67999999999992
MolLogP？: 5.6955000000000044
Number of H-Donors: 6
Number of H-Acceptors: 12
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|