Cyclic trichrysobactin
AlkaPlorer ID: AK079794
Synonym: None
IUPAC Name: N-[(2R)-6-amino-1-[[(3S,7S,11S)-7,11-bis[[(2R)-6-amino-2-[(2,3-dihydroxybenzoyl)amino]hexanoyl]amino]-2,6,10-trioxo-1,5,9-trioxacyclododec-3-yl]amino]-1-oxohexan-2-yl]-2,3-dihydroxybenzamide
Structure
SMILES: NCCCC[C@@H](N=C(O)C1=CC=CC(O)=C1O)C(O)=N[C@H]1COC(=O)[C@@H](N=C(O)[C@@H](CCCCN)N=C(O)C2=CC=CC(O)=C2O)COC(=O)[C@@H](N=C(O)[C@@H](CCCCN)N=C(O)C2=CC=CC(O)=C2O)COC1=O
InChI: InChI=1S/C48H63N9O18/c49-19-4-1-13-28(52-40(64)25-10-7-16-34(58)37(25)61)43(67)55-31-22-73-47(71)33(57-45(69)30(15-3-6-21-51)54-42(66)27-12-9-18-36(60)39(27)63)24-75-48(72)32(23-74-46(31)70)56-44(68)29(14-2-5-20-50)53-41(65)26-11-8-17-35(59)38(26)62/h7-12,16-18,28-33,58-63H,1-6,13-15,19-24,49-51H2,(H,52,64)(H,53,65)(H,54,66)(H,55,67)(H,56,68)(H,57,69)/t28-,29-,30-,31+,32+,33+/m1/s1
InChIKey: UCQNSMWQRQITLO-OKYIMTKNSA-N
Reference
Chrysobactin Siderophores Produced by <i>Dickeya chrysanthemi</i> EC16
PubChem CID: 53355246
LOTUS: LTS0075308
{NPAtlas: NPA009364
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Dickeya chrysanthemi | Dickeya | Pectobacteriaceae | Enterobacterales | Gammaproteobacteria | Pseudomonadota | None | Bacteria |
Properties Information
Molecule Weight: 1054.077
TPSA？: 473.8800000000001
MolLogP？: 2.345700000000007
Number of H-Donors: 15
Number of H-Acceptors: 21
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|