Acidobactin A; Homologue (R = CH3)
AlkaPlorer ID: AK283117
Synonym: Vacidobactin A
IUPAC Name: 2-[17-[3-[formyl(hydroxy)amino]propyl]-16-hydroxy-9-[3-(hydroxyamino)propyl]-12-(1-hydroxyethyl)-6-(hydroxymethyl)-15,21-dimethyl-2,5,8,11,14,19-hexaoxo-1-oxa-4,7,10,13,18-pentazacyclohenicos-3-yl]-2-hydroxyacetic acid
Structure
SMILES: CC1CC(=O)NC(CCCN(O)C=O)C(O)C(C)C(=O)NC(C(C)O)C(=O)NC(CCCNO)C(=O)NC(CO)C(=O)NC(C(O)C(=O)O)C(=O)O1
InChI: InChI=1S/C29H49N7O16/c1-13-10-19(40)31-16(7-5-9-36(51)12-38)22(41)14(2)24(43)34-20(15(3)39)27(46)32-17(6-4-8-30-50)25(44)33-18(11-37)26(45)35-21(29(49)52-13)23(42)28(47)48/h12-18,20-23,30,37,39,41-42,50-51H,4-11H2,1-3H3,(H,31,40)(H,32,46)(H,33,44)(H,34,43)(H,35,45)(H,47,48)
InChIKey: BYSPKLMXELOKRR-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Variovorax paradoxus | Variovorax | Comamonadaceae | Burkholderiales | Betaproteobacteria | Pseudomonadota | None | Bacteria |
| None | Paradoxus | Yponomeutidae | Lepidoptera | Insecta | Arthropoda | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 751.7440000000004
TPSA？: 362.82
MolLogP？: -6.051800000000012
Number of H-Donors: 13
Number of H-Acceptors: 16
RingCount: 1
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|