Bolagladin A
AlkaPlorer ID: AK006396
Synonym: None
IUPAC Name: 2-[(5Z,14Z)-16-[[(E)-3-[[(3S,6S,9R,12S)-6-(2-hydroxyethyl)-3-(hydroxymethyl)-2,5,8,11-tetraoxo-9-propan-2-yl-1-oxa-4,7,10-triazacyclotridec-12-yl]amino]-3-oxoprop-1-enyl]amino]-16-oxohexadeca-5,14-dienyl]-2-methoxybutanedioic acid
Structure
SMILES: COC(CCCC/C=C\CCCCCCC/C=C\C(=O)N/C=C/C(=O)N[C@H]1COC(=O)[C@H](CO)NC(=O)[C@H](CCO)NC(=O)[C@@H](C(C)C)NC1=O)(CC(=O)O)C(=O)O
InChI: InChI=1S/C39H61N5O14/c1-26(2)33-36(53)42-27(19-22-45)34(51)43-28(24-46)37(54)58-25-29(35(52)44-33)41-31(48)18-21-40-30(47)17-15-13-11-9-7-5-4-6-8-10-12-14-16-20-39(57-3,38(55)56)23-32(49)50/h8,10,15,17-18,21,26-29,33,45-46H,4-7,9,11-14,16,19-20,22-25H2,1-3H3,(H,40,47)(H,41,48)(H,42,53)(H,43,51)(H,44,52)(H,49,50)(H,55,56)/b10-8-,17-15-,21-18+/t27-,28-,29-,33+,39?/m0/s1
InChIKey: FOYVMAZXONLAFF-JSRAJUNHSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Burkholderia gladioli | Burkholderia | Burkholderiaceae | Burkholderiales | Betaproteobacteria | Pseudomonadota | None | Bacteria |
Properties Information
Molecule Weight: 823.938
TPSA？: 296.09
MolLogP？: 0.4910000000000096
Number of H-Donors: 9
Number of H-Acceptors: 12
RingCount: 1
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|