BiGG Metabolite 6apa

6-aminopenicillanic acid zwitterion

Default Component

6apa:0

Molecular Mass||g/mol: 216.257^[0], 216.26^[1], 215.0^[2]
SMILES: [H][C@]12SC(C)(C)[C@H](C(=O)[O-])N1C(=O)[C@H]2[NH3+]^[0], [H][C@]12SC(C)(C)[C@H](C(=O)O)N1C(=O)[C@H]2N^[1], CC1(C)S[C@@H]2[C@H]([NH3+])C(=O)N2[C@H]1C(=O)[O-]^[2]
Names: 6-aminopenicillanate^[0,2], 6-azaniumyl-2,2-dimethylpenam-3alpha-carboxylate^[0], (2S,5R,6R)-6-azaniumyl-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate^[0], 6-Aminopenicillanate^[1,2], 6-Aminopenicillanic acid^[1,2], (2S,5R,6R)-6-amino-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid^[1], Aminopenicillanic acid^[1], Penicin^[1], Penin^[1], 6-amino-2,2-dimethylpenam-3alpha-carboxylic acid^[1], 6-APA^[1,2], 6-Apa^[1], 6-Aps^[1], Phenacyl 6-aminopenicillinate^[1], 6-Aminopenicillamine acid^[1], 6beta-aminopenicillanic acid^[1], (+)-6-aminopenicillanic acid^[1]

Data Sources: [0] CHEBI:57869 via ChEBI, [1] CHEBI:16705 via ChEBI, [2] cpd01896 via ModelSEED

Data Sources: [0] CHEBI:57869 via ChEBI, [1] CHEBI:16705 via ChEBI, [2] cpd01896 via ModelSEED

Alternative Component

6apa:-1

CHEBI:30938

Molecular Mass||g/mol: 215.25062^[0]
SMILES: [H][C@]12SC(C)(C)[C@]([H])(C(=O)[O-])N1C(=O)[C@@]2([H])N^[0]
Names: (2S,5R,6R)-6-amino-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate^[0]

Data Sources: [0] CHEBI:30938 via ChEBI

Data Sources: [0] CHEBI:30938 via ChEBI

	BiGG ID	Compartment	Charge	Model	Organism
	BiGG ID	Compartment	Charge	Model	Organism