Vanchrobactin
AlkaPlorer ID: AK050436
Synonym: None
IUPAC Name: (2S)-2-[[(2R)-5-(diaminomethylideneamino)-2-[(2,3-dihydroxybenzoyl)amino]pentanoyl]amino]-3-hydroxypropanoic acid
Structure
SMILES: N=C(N)NCCC[C@@H](N=C(O)C1=CC=CC(O)=C1O)C(O)=N[C@@H](CO)C(=O)O
InChI: InChI=1S/C16H23N5O7/c17-16(18)19-6-2-4-9(14(26)21-10(7-22)15(27)28)20-13(25)8-3-1-5-11(23)12(8)24/h1,3,5,9-10,22-24H,2,4,6-7H2,(H,20,25)(H,21,26)(H,27,28)(H4,17,18,19)/t9-,10+/m1/s1
InChIKey: LXNCWECCTQQXPQ-ZJUUUORDSA-N
Reference
PubChem CID: 16658367
LOTUS: LTS0096046
SuperNatural Ⅲ: SN0218107-01
NPASS: NPC75800
{NPAtlas: NPA016075
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | Vibrio | Vibrionaceae | Vibrionales | Gammaproteobacteria | Pseudomonadota | None | Bacteria |
| Vibrio anguillarum | Vibrio | Vibrionaceae | Vibrionales | Gammaproteobacteria | Pseudomonadota | None | Bacteria |
Properties Information
Molecule Weight: 397.38800000000015
TPSA？: 225.07
MolLogP？: -0.5637299999999998
Number of H-Donors: 9
Number of H-Acceptors: 7
RingCount: 1
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | PC-3 | IC50 | None | None | 10.1021/np900750g |