formobactin
AlkaPlorer ID: AK067800
Synonym: 'ND 20', 'Formobactin'
IUPAC Name: [(3S)-1-[[(3R)-1-hydroxy-2-oxoazepan-3-yl]amino]-2,2-dimethyl-1-oxododecan-3-yl] (2R)-6-[formyl(hydroxy)amino]-2-[[2-(2-hydroxyphenyl)-5-methyl-1,3-oxazole-4-carbonyl]amino]hexanoate
Structure
SMILES: CCCCCCCCC[C@H](OC(=O)[C@@H](CCCCN(O)C=O)N=C(O)C1=C(C)OC(C2=CC=CC=C2O)=N1)C(C)(C)C(O)=N[C@@H]1CCCCN(O)C1=O
InChI: InChI=1S/C38H57N5O10/c1-5-6-7-8-9-10-11-22-31(38(3,4)37(49)40-28-19-15-17-24-43(51)35(28)47)53-36(48)29(20-14-16-23-42(50)25-44)39-33(46)32-26(2)52-34(41-32)27-18-12-13-21-30(27)45/h12-13,18,21,25,28-29,31,45,50-51H,5-11,14-17,19-20,22-24H2,1-4H3,(H,39,46)(H,40,49)/t28-,29-,31+/m1/s1
InChIKey: ZZBSPTCNZDTZBR-XQKNLLDYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | None | Nocardiaceae | Mycobacteriales | Actinomycetes | Actinomycetota | None | Bacteria |
Properties Information
Molecule Weight: 743.8989999999998
TPSA？: 218.82
MolLogP？: 6.852220000000007
Number of H-Donors: 5
Number of H-Acceptors: 11
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|