Universal:novbcn
novobiocin(1-)
Default Component
novbcn:-1
- novobiocin(1-)
- Charge: -1
- Formula: C31H35N2O11
CHEBI:71339
- novobiocin(1-)
- Type: Small Molecule
- InChiKey: YJQPYGGHQPGBLI-KGSXXDOSSA-M
- View on ChEBI
Properties
- Molecular Mass||g/mol: 611.6164[0], 611.0[1]
- SMILES: CO[C@@H]1[C@@H](OC(N)=O)[C@@H](O)[C@H](Oc2ccc3c([O-])c(NC(=O)c4ccc(O)c(CC=C(C)C)c4)c(=O)oc3c2C)OC1(C)C[0,1]
- Names: novobiocin anion[0], novobiocin[0,1], Novobiocin[1]
Linkouts
- CHEBI: CHEBI:71339 [0]
- SEED Compound: cpd03032 [1]
- KEGG Compound: C05080 [1]
- MetaCyc Compound: CPD-15417 [1]
- MetaNetX Chemical: MNXM65002 [1]
Alternative Component
novbcn:0
- novobiocin
- Charge: 0
- Formula: C31H36N2O11
CHEBI:28368
- novobiocin
- Type: Small Molecule
- InChiKey: YJQPYGGHQPGBLI-KGSXXDOSSA-N
- View on ChEBI
Properties
- Names: novobiocinum[0], Novobiocin[0], N-{7-[(3-O-carbamoyl-6-deoxy-5-methyl-4-O-methyl-beta-D-gulopyranosyl)oxy]-4-hydroxy-8-methyl-2-oxo-2H-chromen-3-yl}-4-hydroxy-3-(3-methylbut-2-en-1-yl)benzamide[0], novobiocina[0], novobiocine[0]
- Molecular Mass||g/mol: 612.6243[0]
- SMILES: CO[C@@H]1[C@@H](OC(N)=O)[C@@H](O)[C@H](Oc2ccc3c(O)c(NC(=O)c4ccc(O)c(CC=C(C)C)c4)c(=O)oc3c2C)OC1(C)C[0]
Linkouts
- CHEBI: CHEBI:28368 [0]
- KEGG Compound: C05080 [0]
- HMDB: HMDB0015185 [0]
- DrugBank: DB01051 [0]
Metabolite in Models
| BiGG ID | Compartment | Charge | Model | Organism | |
|---|---|---|---|---|---|
| BiGG ID | Compartment | Charge | Model | Organism |