Variobactin A
AlkaPlorer ID: AK328061
Synonym: None
IUPAC Name: 2-[19-[4-[acetyl(hydroxy)amino]-1-(dodecanoylamino)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: CCCCCCCCCCCC(=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/C47H83N11O17/c1-5-6-7-8-9-10-11-12-13-22-36(62)51-31(20-16-25-57(73)29(3)60)39-28(2)40(64)56-37(38(63)45(69)70)44(68)55-35(27-59)43(67)53-32(18-14-23-48)41(65)52-33(19-15-24-50-47(49)72)42(66)54-34(46(71)75-39)21-17-26-58(74)30(4)61/h28,31-35,37-39,59,63,73-74H,5-27,48H2,1-4H3,(H,51,62)(H,52,65)(H,53,67)(H,54,66)(H,55,68)(H,56,64)(H,69,70)(H3,49,50,72)
InChIKey: PQVAQGMYHVAPQH-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | Paradoxus | Yponomeutidae | Lepidoptera | Insecta | Arthropoda | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 1074.2409999999995
TPSA？: 440.88
MolLogP？: -1.9614000000000191
Number of H-Donors: 14
Number of H-Acceptors: 17
RingCount: 1
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|