Linear trichrysobactin
AlkaPlorer ID: AK079814
Synonym: None
IUPAC Name: (2S)-2-[[(2R)-6-amino-2-[(2,3-dihydroxybenzoyl)amino]hexanoyl]amino]-3-[(2S)-2-[[(2R)-6-amino-2-[(2,3-dihydroxybenzoyl)amino]hexanoyl]amino]-3-[(2S)-2-[[(2R)-6-amino-2-[(2,3-dihydroxybenzoyl)amino]hexanoyl]amino]-3-hydroxypropanoyl]oxypropanoyl]oxypropanoic acid
Structure
SMILES: NCCCC[C@@H](N=C(O)C1=CC=CC(O)=C1O)C(O)=N[C@@H](COC(=O)[C@H](COC(=O)[C@H](CO)N=C(O)[C@@H](CCCCN)N=C(O)C1=CC=CC(O)=C1O)N=C(O)[C@@H](CCCCN)N=C(O)C1=CC=CC(O)=C1O)C(=O)O
InChI: InChI=1S/C48H65N9O19/c49-19-4-1-13-28(52-40(65)25-10-7-16-34(59)37(25)62)43(68)55-31(22-58)47(73)76-24-33(57-45(70)30(15-3-6-21-51)54-42(67)27-12-9-18-36(61)39(27)64)48(74)75-23-32(46(71)72)56-44(69)29(14-2-5-20-50)53-41(66)26-11-8-17-35(60)38(26)63/h7-12,16-18,28-33,58-64H,1-6,13-15,19-24,49-51H2,(H,52,65)(H,53,66)(H,54,67)(H,55,68)(H,56,69)(H,57,70)(H,71,72)/t28-,29-,30-,31+,32+,33+/m1/s1
InChIKey: YTIOHQGZCPYGOD-OKYIMTKNSA-N
Reference
Chrysobactin Siderophores Produced by <i>Dickeya chrysanthemi</i> EC16
PubChem CID: 53355247
LOTUS: LTS0198761
{NPAtlas: NPA017230
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Dickeya chrysanthemi | Dickeya | Pectobacteriaceae | Enterobacterales | Gammaproteobacteria | Pseudomonadota | None | Bacteria |
Properties Information
Molecule Weight: 1072.0919999999996
TPSA？: 505.1100000000001
MolLogP？: 1.865800000000008
Number of H-Donors: 17
Number of H-Acceptors: 21
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|