Divanchrobactin
AlkaPlorer ID: AK050581
Synonym: None
IUPAC Name: (2S)-2-[[(2R)-5-(diaminomethylideneamino)-2-[(2,3-dihydroxybenzoyl)amino]pentanoyl]amino]-3-[(2S)-2-[[(2R)-5-(diaminomethylideneamino)-2-[(2,3-dihydroxybenzoyl)amino]pentanoyl]amino]-3-hydroxypropanoyl]oxypropanoic acid
Structure
SMILES: N=C(N)NCCC[C@@H](N=C(O)C1=CC=CC(O)=C1O)C(O)=N[C@@H](COC(=O)[C@H](CO)N=C(O)[C@@H](CCCNC(=N)N)N=C(O)C1=CC=CC(O)=C1O)C(=O)O
InChI: InChI=1S/C32H44N10O13/c33-31(34)37-11-3-7-17(39-25(48)15-5-1-9-21(44)23(15)46)27(50)41-19(13-43)30(54)55-14-20(29(52)53)42-28(51)18(8-4-12-38-32(35)36)40-26(49)16-6-2-10-22(45)24(16)47/h1-2,5-6,9-10,17-20,43-47H,3-4,7-8,11-14H2,(H,39,48)(H,40,49)(H,41,50)(H,42,51)(H,52,53)(H4,33,34,37)(H4,35,36,38)/t17-,18-,19+,20+/m1/s1
InChIKey: YEDLPYZUUMOKKH-ZRNYENFQSA-N
Reference
Vanchrobactin and Anguibactin Siderophores Produced by <i>Vibrio</i> sp. DS40M4
PubChem CID: 46849169
LOTUS: LTS0139079
SuperNatural Ⅲ: SN0447934-01
NPASS: NPC212289
{NPAtlas: NPA019471
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | Vibrio | Vibrionaceae | Vibrionales | Gammaproteobacteria | Pseudomonadota | None | Bacteria |
| Vibrio sp. | Vibrio | Vibrionaceae | Vibrionales | Gammaproteobacteria | Pseudomonadota | None | Bacteria |
Properties Information
Molecule Weight: 776.7610000000002
TPSA？: 418.9100000000001
MolLogP？: -0.6475599999999933
Number of H-Donors: 16
Number of H-Acceptors: 14
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | PC-3 | IC50 | None | None | 10.1021/np900750g |