Variobactin B
AlkaPlorer ID: AK328062
Synonym: None
IUPAC Name: 2-[19-[4-[acetyl(hydroxy)amino]-1-(decanoylamino)butyl]-3-[3-[acetyl(hydroxy)amino]propyl]-9-(3-aminopropyl)-6-[3-(carbamoylamino)propyl]-12-(hydroxymethyl)-18-methyl-2,5,8,11,14,17-hexaoxo-1-oxa-4,7,10,13,16-pentazacyclononadec-15-yl]-2-hydroxyacetic acid
Structure
SMILES: CCCCCCCCCC(=O)NC(CCCN(O)C(C)=O)C1OC(=O)C(CCCN(O)C(C)=O)NC(=O)C(CCCNC(N)=O)NC(=O)C(CCCN)NC(=O)C(CO)NC(=O)C(C(O)C(=O)O)NC(=O)C1C
InChI: InChI=1S/C45H79N11O17/c1-5-6-7-8-9-10-11-20-34(60)49-29(18-14-23-55(71)27(3)58)37-26(2)38(62)54-35(36(61)43(67)68)42(66)53-33(25-57)41(65)51-30(16-12-21-46)39(63)50-31(17-13-22-48-45(47)70)40(64)52-32(44(69)73-37)19-15-24-56(72)28(4)59/h26,29-33,35-37,57,61,71-72H,5-25,46H2,1-4H3,(H,49,60)(H,50,63)(H,51,65)(H,52,64)(H,53,66)(H,54,62)(H,67,68)(H3,47,48,70)
InChIKey: VZLKLSFDPFHEHA-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | Paradoxus | Yponomeutidae | Lepidoptera | Insecta | Arthropoda | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 1046.1869999999997
TPSA？: 440.88
MolLogP？: -2.74160000000002
Number of H-Donors: 14
Number of H-Acceptors: 17
RingCount: 1
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|