MetaNetX
Automated Model Construction and Genome Annotation for Large-Scale Metabolic Networks

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ampicillin

	Properties	Image
MNX_ID	MNXM152246
reference	chebi:28971
formula	C₁₆H₁₉N₃O₄S
global charge	0
mol weight	349.412
InChIKey	AVKUERGKIZMTKX-NJBDSQKTSA-N
InChI	InChI=1S/C16H19N3O4S/c1-16(2)11(15(22)23)19-13(21)10(14(19)24-16)18-12(20)9(17)8-6-4-3-5-7-8/h3-7,9-11,14H,17H2,1-2H3,(H,18,20)(H,22,23)/t9-,10-,11+,14-/m1/s1
SMILES	CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](N)C3=CC=CC=C3)C(=O)N2[C@H]1C(=O)O

MNX internals

InChI (mnx)	InChI=1/C16H19N3O4S/c1-16(2)11(15(22)23)19-13(21)10(14(19)24-16)18-12(20)9(17)8-6-4-3-5-7-8/h3-7,9-11,14H,17H2,1-2H3,(H,18,20)(H,22,23)/t9-,10-,11+,14-/m1/s1
SMILES (mnx)	[CH3:1][C:16]1([CH3:2])[C@H:11]([C:15](=[O:22])[OH:23])[N:19]2[C:13](=[O:21])[C@@H:10]([N:18]=[C:12]([C@@H:9]([C:8]3=[CH:6][CH:4]=[CH:3][CH:5]=[CH:7]3)[NH2:17])[OH:20])[C@H:14]2[S:24]1

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	9
in models (compartimentalized)	5

Similar chemical compounds in external resources
Identifier	Description
CHEBI:28971 chebi:28971 AVKUERGKIZMTKX-NJBDSQKTSA-N	ampicillin (2S,5R,6R)-6-{[(2R)-2-AMINO-2-PHENYLETHANOYL]AMINO}-3,3-DIMETHYL-7-OXO-4-THIA-1-AZABICYCLO[3.2.0]HEPTANE-2-CARBOXYLIC ACID (2S,5R,6R)-6-{[(2R)-2-amino-2-phenylacetyl]amino}-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid (2S,6R)-6-{[(2R)-2-amino-2-phenylethanoyl]amino}-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid 6-(D-(2-amino-2-phenylacetamido))-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid 6beta-[(2R)-2-amino-2-phenylacetamido]-2,2-dimethylpenam-3alpha-carboxylic acid ABPC AMP AP Ampicillin Anhydrous ampicillin D-(-)-6-(alpha-aminophenylacetamido)penicillanic acid D-(-)-ampicillin aminobenzylpenicillin ampicilina ampicillin acid ampicillin anhydrous ampicilline ampicillinum
bigg.metabolite:apc biggM:apc AVKUERGKIZMTKX-NJBDSQKTSA-N	Ampicillin
kegg.drug:D00204 keggD:D00204 AVKUERGKIZMTKX-NJBDSQKTSA-N	Ampicillin (USP/INN) Anhydrous ampicillin (JP18) Omnipen (TN)
hmdb:HMDB0014559 AVKUERGKIZMTKX-NJBDSQKTSA-N	Ampicillin (2S,5R,6R)-6-[(2R)-2-amino-2-phenylacetamido]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid (2S,5R,6R)-6-[[(2R)-2-Amino-2-phenylacetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid (2S,5R,6R)-6-{[(2R)-2-amino-2-phenylacetyl]amino}-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate (2S,5R,6R)-6-{[(2R)-2-amino-2-phenylacetyl]amino}-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid (2S,5R,6R)-6-{[(2R)-2-amino-2-phenylethanoyl]amino}-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylIC ACID (2S,5R,6R)-6-{[(2R)-2-amino-2-phenylethanoyl]amino}-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate (2S,6R)-6-{[(2R)-2-amino-2-phenylethanoyl]amino}-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate (2S,6R)-6-{[(2R)-2-amino-2-phenylethanoyl]amino}-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid 6-(D(-)-alpha-Aminophenylacetamido)penicillanic acid 6-(D-(2-Amino-2-phenylacetamido))-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo(3.2.0)heptane-2-carboxylate 6-(D-(2-Amino-2-phenylacetamido))-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid 6-(a-Aminophenylacetamido)penicillanic acid 6-D(-)-alpha-Aminophenylacetamido-penicillanic acid 6-[(Aminophenylacetyl)amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 9ci ABPC AMP AMPI AP AY 6108 Acillin Adobacillin Alpen Amblosin Amcill Amfipen Amfipen V Aminobenzyl penicillin Aminobenzylpenicillin Amipenix S Ampen Ampi-bol Ampi-co Ampi-tab Ampichel Ampicil Ampicilina Ampicillin acid Ampicillin anhydrate Ampicillin anhydrous Ampicillin base Ampicillin sodium Ampicillin trihydrate Ampicillina Ampicilline Ampicillinum Ampifarm Ampikel Ampimed Ampipenin Ampiscel Ampisyn Ampivax Ampivet Amplacilina Amplin Amplipenyl Amplisom Amplital Anhydrous ampicillin Antibiotic KS R1 Antibiotic KS-R1 Austrapen BRL 1341 Bayer 5427 Binotal Bonapicillin Britacil Campicillin Cimex Copharcilin D-(-)-6-(a-Aminophenylacetamido)penicillanate D-(-)-6-(a-Aminophenylacetamido)penicillanic acid D-(-)-6-(alpha-Aminophenylacetamido)penicillanate D-(-)-6-(alpha-Aminophenylacetamido)penicillanic acid D-(-)-6-(alpha-aminophenylacetamido)penicillanate D-(-)-6-(alpha-aminophenylacetamido)penicillanic acid D-(-)-Ampicillin D-(-)-alpha-Aminobenzylpenicillin D-(-)-alpha-Aminopenicillin D-Ampicillin D-Cillin D-a-Aminobenzylpenicillin Delcillin Deripen Divercillin Doktacillin Duphacillin Geocillin Grampenil Guicitrina Guicitrine KS-R1 KS-R1, Antibiotic Lifeampil Magnapen Marcillin Morepen NSC 528986 Norobrittin Novo-ampicillin Nuvapen Olin kid Omnipen Orbicilina Pen a Pen ampil Penbristol Penbritin Penbrock Penicillin, aminobenzyl Penicline Penimic Pensyn Pentrex Pentrexl Pentrexyl Pentritin Pfizerpen a Polycillin Ponecil Princillin Principen Qidamp Racenacillin Ro-ampen Rosampline Roscillin SK-Ampicillin Semicillin Servicillin Sodium, ampicillin Sumipanto Supen Synpenin Texcillin Tokiocillin Tolomol Totacillin Totalciclina Totapen Trifacilina Trihydrate, ampicillin Ukapen Ultrabion Ultrabron Vampen Viccillin Vidocillin Vidopen Wypicil alpha-Aminobenzylpenicillin ampicillin
seed.compound:cpd03981 seedM:cpd03981 AVKUERGKIZMTKX-NJBDSQKTSA-N	Ampicillin 6-(D-(2-Amino-2-phenylacetamido))-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid Aminobenzylpenicillin Ampicillin Acid Ampicillin Anhydrous Anhydrous ampicillin D-(-)-6-(alpha-Aminophenylacetamido)penicillanic acid D-(-)-Ampicillin aminobenzylpenicillin ampicillin ampicillin Acid ampicillin Anhydrous anhydrous ampicillin
sabiork.compound:20019 sabiorkM:20019 AVKUERGKIZMTKX-NJBDSQKTSA-N	Ampicillin 7-(2-Amino-2-phenyl-acetyl)amino-3,3-dimethyl-6-oxo-2-thia-5-azabicyclo[3.2.0]heptane-4-carboxylic acid
kegg.compound:C06574 keggC:C06574 AVKUERGKIZMTKX-NJBDSQKTSA-N	Ampicillin Anhydrous ampicillin
CHEBI:50658 chebi:50658 AVKUERGKIZMTKX-NJBDSQKTSA-M	ampicillin(1-) (2S,5R,6R)-6-{[(2R)-2-amino-2-phenylacetyl]amino}-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate 6beta-[(2R)-2-amino-2-phenylacetamido]-2,2-dimethylpenam-3alpha-carboxylate ampicillinate
metacyc.compound:CPD-9195 metacycM:CPD-9195 AVKUERGKIZMTKX-NJBDSQKTSA-N	ampicillin 6-(D-(2-Amino-2-phenylacetamido))-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid D-(-)-6-(alpha-Aminophenylacetamido)penicillanic acid D-(-)-Ampicillin aminobenzylpenicillin ampicillin Acid ampicillin Anhydrous anhydrous ampicillin
envipath:...ae3e14d895f9 envipathM:...ae3e14d895f9 AVKUERGKIZMTKX-NJBDSQKTSA-N	compound 0054108
hmdb:HMDB0030484 hmdb:HMDB14559 hmdb:HMDB30484 chebi:22536 chebi:2683 chebi:40648 chebi:45042 biggM:M_apc keggC:M_C06574 keggD:M_D00204 seedM:M_cpd03981	secondary/obsolete/fantasy identifier