Amphienterobactin C12-OH
AlkaPlorer ID: AK119888
Synonym: 3-Hydroxydodecanoylamphienterobactin
IUPAC Name: N-[11,15-bis[(2,3-dihydroxybenzoyl)amino]-7-(3-hydroxydodecanoylamino)-2,6,10,14-tetraoxo-1,5,9,13-tetraoxacyclohexadec-3-yl]-2,3-dihydroxybenzamide
Structure
SMILES: CCCCCCCCCC(O)CC(=O)NC1COC(=O)C(NC(=O)C2=CC=CC(O)=C2O)COC(=O)C(NC(=O)C2=CC=CC(O)=C2O)COC(=O)C(NC(=O)C2=CC=CC(O)=C2O)COC1=O
InChI: InChI=1S/C45H54N4O19/c1-2-3-4-5-6-7-8-12-24(50)19-35(54)46-28-20-65-43(62)30(48-40(59)26-14-10-17-33(52)37(26)56)22-67-45(64)31(49-41(60)27-15-11-18-34(53)38(27)57)23-68-44(63)29(21-66-42(28)61)47-39(58)25-13-9-16-32(51)36(25)55/h9-11,13-18,24,28-31,50-53,55-57H,2-8,12,19-23H2,1H3,(H,46,54)(H,47,58)(H,48,59)(H,49,60)
InChIKey: AFBSGQPOTIOCSW-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | Vibrio | Vibrionaceae | Vibrionales | Gammaproteobacteria | Pseudomonadota | None | Bacteria |
| Vibrio harveyi | Vibrio | Vibrionaceae | Vibrionales | Gammaproteobacteria | Pseudomonadota | None | Bacteria |
Properties Information
Molecule Weight: 954.9360000000004
TPSA？: 363.21
MolLogP？: 1.1787
Number of H-Donors: 11
Number of H-Acceptors: 19
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|