Corynebactin
AlkaPlorer ID: AK038840
Synonym: None
IUPAC Name: N-[2-[[(2R,3S,6R,7S,10R,11S)-7,11-bis[[2-[(2,3-dihydroxybenzoyl)amino]acetyl]amino]-2,6,10-trimethyl-4,8,12-trioxo-1,5,9-trioxacyclododec-3-yl]amino]-2-oxoethyl]-2,3-dihydroxybenzamide
Structure
SMILES: C[C@H]1OC(=O)[C@@H](N=C(O)CN=C(O)C2=CC=CC(O)=C2O)[C@@H](C)OC(=O)[C@@H](N=C(O)CN=C(O)C2=CC=CC(O)=C2O)[C@@H](C)OC(=O)[C@H]1N=C(O)CN=C(O)C1=CC=CC(O)=C1O
InChI: InChI=1S/C39H42N6O18/c1-16-28(43-25(49)13-40-34(55)19-7-4-10-22(46)31(19)52)37(58)62-18(3)30(45-27(51)15-42-36(57)21-9-6-12-24(48)33(21)54)39(60)63-17(2)29(38(59)61-16)44-26(50)14-41-35(56)20-8-5-11-23(47)32(20)53/h4-12,16-18,28-30,46-48,52-54H,13-15H2,1-3H3,(H,40,55)(H,41,56)(H,42,57)(H,43,49)(H,44,50)(H,45,51)/t16-,17-,18-,28+,29+,30+/m1/s1
InChIKey: RCQTVEFBFUNTGM-BDVHUIKKSA-N
Reference
PubChem CID: 125349
CAS: 95536-04-2
LOTUS: LTS0039358
NPASS: NPC98247
{NPAtlas: NPA020129
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Bacillus subtilis | Bacillus | Bacillaceae | Bacillales | Bacilli | Bacillota | None | Bacteria |
| Corynebacterium glutamicum | Corynebacterium | Corynebacteriaceae | Mycobacteriales | Actinomycetes | Actinomycetota | None | Bacteria |
Properties Information
Molecule Weight: 882.7890000000002
TPSA？: 395.8200000000001
MolLogP？: 2.0184000000000006
Number of H-Donors: 12
Number of H-Acceptors: 18
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|