Baumannoferrin A
AlkaPlorer ID: AK290229
Synonym: None
IUPAC Name: 1-[1-carboxy-3-[[3-carboxy-5-[3-[[(E)-dec-2-enoyl]-hydroxyamino]propylamino]-3-hydroxy-5-oxopentanoyl]amino]propyl]-2-hydroxy-5-oxopyrrolidine-2-carboxylic acid
Structure
SMILES: CCCCCCC/C=C/C(=O)N(O)CCCNC(=O)CC(O)(CC(=O)NCCC(C(=O)O)N1C(=O)CCC1(O)C(=O)O)C(=O)O
InChI: InChI=1S/C28H44N4O13/c1-2-3-4-5-6-7-8-10-22(35)31(45)16-9-14-29-20(33)17-27(43,25(39)40)18-21(34)30-15-12-19(24(37)38)32-23(36)11-13-28(32,44)26(41)42/h8,10,19,43-45H,2-7,9,11-18H2,1H3,(H,29,33)(H,30,34)(H,37,38)(H,39,40)(H,41,42)/b10-8+
InChIKey: GMUQSQFQFFQVEB-CSKARUKUSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Acinetobacter baumannii | Acinetobacter | Moraxellaceae | Moraxellales | Gammaproteobacteria | Pseudomonadota | None | Bacteria |
Properties Information
Molecule Weight: 644.6750000000004
TPSA？: 271.41
MolLogP？: -0.4217999999999927
Number of H-Donors: 8
Number of H-Acceptors: 10
RingCount: 1
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|