Universal:peng
benzylpenicillin(1-)
Default Component
peng:-1
- benzylpenicillin(1-)
- Charge: -1
- Formula: C16H17N2O4S
CHEBI:51354
- benzylpenicillin(1-)
- Type: Small Molecule
- InChiKey: JGSARLDLIJGVTE-MBNYWOFBSA-M
- View on ChEBI
Properties
- Molecular Mass||g/mol: 333.38326[0], 333.0[1]
- SMILES: [H][C@]12SC(C)(C)[C@H](C(=O)[O-])N1C(=O)[C@H]2NC(=O)Cc1ccccc1[0], CC1(C)S[C@@H]2[C@H](NC(=O)Cc3ccccc3)C(=O)N2[C@H]1C(=O)[O-][1]
- Names: 2,2-dimethyl-6beta-(phenylacetamido)penam-3alpha-carboxylate[0], (2S,5R,6R)-3,3-dimethyl-7-oxo-6-[(phenylacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate[0], penicillin G[0,1], Penicillin G[1], Benzylpenicillin[1], benzylpenicillin[1]
Linkouts
- CHEBI: CHEBI:51354 [0]
- SEED Compound: cpd03292 [1]
- KEGG Compound: C05551 [1]
- MetaCyc Compound: PENICILLIN-G [1]
- MetaNetX Chemical: MNXM1812 [1]
Alternative Component
peng:0
- benzylpenicillin
- Charge: 0
- Formula: C16H18N2O4S
CHEBI:18208
- benzylpenicillin
- Type: Small Molecule
- InChiKey: JGSARLDLIJGVTE-MBNYWOFBSA-N
- View on ChEBI
Properties
- Molecular Mass||g/mol: 334.392[0]
- SMILES: [H][C@]12SC(C)(C)[C@H](C(=O)O)N1C(=O)[C@H]2NC(=O)Cc1ccccc1[0]
- Names: Penicillin G[0], Benzylpenicillin[0], (2S,5R,6R)-3,3-dimethyl-7-oxo-6-(phenylacetamido)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid[0], 2,2-dimethyl-6beta-(phenylacetamido)penam-3alpha-carboxylic acid[0], benzylpenicillinic acid[0], free penicillin II[0], 6-(2-phenylacetamido)penicillanic acid[0], PENICILLIN G[0], benzylpenicillin[0], bencilpenicilina[0], benzylpenicilline[0], benzylpenicillinum[0], PG[0], bensylpenicillin[0], benzyl benicillin[0], PCG[0]
Linkouts
- CHEBI: CHEBI:18208 [0]
- KEGG Compound: C05551 [0]
- KEGG Drug: D02336 [0]
- DrugBank: DB01053 [0]
- Wikipedia: Benzylpenicillin [0]
- HMDB: HMDB0015186 [0]
Metabolite in Models
| BiGG ID | Compartment | Charge | Model | Organism | |
|---|---|---|---|---|---|
| BiGG ID | Compartment | Charge | Model | Organism |