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6-aminopenicillanate

Properties

Image

Occurences in reactions

MNX_ID

MNXM2495

	#reac
in my sandbox	0
in MNXref (generic)	16
in models (compartimentalized)	3

formula

C₈H₁₂N₂O₃S

charge

mass

216.05686

reference

chebi:57869

InChIKey

NGHVIOIJCVXTGV-ALEPSDHESA-N

InChI

InChI=1S/C8H12N2O3S/c1-8(2)4(7(12)13)10-5(11)3(9)6(10)14-8/h3-4,6H,9H2,1-2H3,(H,12,13)/t3-,4+,6-/m1/s1

SMILES

CC1(C)S[C@@H]2[C@H]([NH3+])C(=O)N2[C@H]1C(=O)[O-]

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:57869 chebi:57869	6-aminopenicillanate (2S,5R,6R)-6-azaniumyl-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate 6-aminopenicillanic acid zwitterion 6-azaniumyl-2,2-dimethylpenam-3alpha-carboxylate
bigg.metabolite:6ampenc biggM:6ampenc	6 Aminopenicillanate
bigg.metabolite:6apa biggM:6apa	6 Aminopenicillanic acid
seed.compound:cpd01896 seedM:cpd01896	6-Aminopenicillanate 6-APA 6-Aminopenicillanic acid 6-aminopenicillanate 6ampenc
sabiork.compound:2606 sabiorkM:2606 kegg.compound:C02954 keggC:C02954	6-Aminopenicillanate 6-Aminopenicillanic acid
hmdb:HMDB0060618	6-Aminopenicillanic acid (+)-6-Aminopenicillanate (+)-6-Aminopenicillanic acid (2S,5R,6R)-6-Amino-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate (2S,5R,6R)-6-Amino-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid (2S,5R,6R)-6-amino-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid 6-APA 6-APA CPD 6-Aminopenicillamine acid 6-Aminopenicillanate 6-Aps 6b-Aminopenicillanate 6b-Aminopenicillanic acid 6beta-Aminopenicillanate 6beta-Aminopenicillanic acid 6beta-aminopenicillanate 6beta-aminopenicillanic acid Aminopenicillanate Aminopenicillanic acid Aminopenicillanic acid, potassium salt Aminopenicillanic acid, sodium salt Penicin Penin Phenacyl 6-aminopenicillinate Phenacyl 6-aminopenicillinic acid penin
CHEBI:30938 chebi:30938	6-aminopenicillanate (2S,5R,6R)-6-amino-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate
metacyc.compound:6-AMINOPENICILLANATE metacycM:6-AMINOPENICILLANATE	6-aminopenicillanate 6-APA 6-Aminopenicillanic acid
CHEBI:16705 chebi:16705	6-aminopenicillanic acid (+)-6-aminopenicillanic acid (2S,5R,6R)-6-amino-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid 6-APA 6-Aminopenicillamine acid 6-Aminopenicillanate 6-Aminopenicillanic acid 6-Apa 6-Aps 6-amino-2,2-dimethylpenam-3alpha-carboxylic acid 6beta-aminopenicillanic acid Aminopenicillanic acid Penicin Penin Phenacyl 6-aminopenicillinate
envipath:...a5644e452daa envipathM:...a5644e452daa envipath:...065d05486ea8 envipathM:...065d05486ea8	compound 0054115
hmdb:HMDB60618 chebi:12207 chebi:20704 chebi:20705 chebi:2172 biggM:M_6ampenc biggM:M_6apa keggC:M_C02954 seedM:M_cpd01896	secondary/obsolete/fantasy identifier