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

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amoxicillin

	Properties	Image
MNX_ID	MNXM152240
reference	chebi:2676
formula	C₁₆H₁₉N₃O₅S
global charge	0
mol weight	365.411
InChIKey	LSQZJLSUYDQPKJ-NJBDSQKTSA-N
InChI	InChI=1S/C16H19N3O5S/c1-16(2)11(15(23)24)19-13(22)10(14(19)25-16)18-12(21)9(17)7-3-5-8(20)6-4-7/h3-6,9-11,14,20H,17H2,1-2H3,(H,18,21)(H,23,24)/t9-,10-,11+,14-/m1/s1
SMILES	CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](N)C3=CC=C(O)C=C3)C(=O)N2[C@H]1C(=O)O

MNX internals

InChI (mnx)	InChI=1/C16H19N3O5S/c1-16(2)11(15(23)24)19-13(22)10(14(19)25-16)18-12(21)9(17)7-3-5-8(20)6-4-7/h3-6,9-11,14,20H,17H2,1-2H3,(H,18,21)(H,23,24)/t9-,10-,11+,14-/m1/s1
SMILES (mnx)	[CH3:1][C:16]1([CH3:2])[C@H:11]([C:15](=[O:23])[OH:24])[N:19]2[C:13](=[O:22])[C@@H:10]([N:18]=[C:12]([C@@H:9]([C:7]3=[CH:4][CH:6]=[C:8]([OH:20])[CH:5]=[CH:3]3)[NH2:17])[OH:21])[C@H:14]2[S:25]1

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	2
in models (compartimentalized)	0

Similar chemical compounds in external resources
Identifier	Description
CHEBI:2676 chebi:2676 LSQZJLSUYDQPKJ-NJBDSQKTSA-N	amoxicillin (2S,5R,6R)-6-{[(2R)-2-amino-2-(4-hydroxyphenyl)acetyl]amino}-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid 6-(p-hydroxy-alpha-aminophenylacetamido)penicillanic acid 6beta-[(2R)-2-amino-2-(4-hydroxyphenyl)acetamido]-2,2-dimethylpenam-3alpha-carboxylic acid AMPC AX Amolin Amopenixin Amoxicillin Amoxicillin anhydrous Clamoxyl Moxal alpha-amino-p-hydroxybenzylpenicillin amoxicilina amoxicilline amoxicillinum amoxycilin amoxycillin p-hydroxyampicillin
kegg.drug:D07452 keggD:D07452 LSQZJLSUYDQPKJ-NJBDSQKTSA-N	Amoxicillin (INN) AMPC Amoxicillin (TN)
hmdb:HMDB0015193 LSQZJLSUYDQPKJ-NJBDSQKTSA-N	Amoxicillin (2S,5R,6R)-6-[(2R)-2-amino-2-(4-hydroxyphenyl)acetamido]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid (2S,5R,6R)-6-{[(2R)-2-amino-2-(4-hydroxyphenyl)acetyl]amino}-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate (2S,5R,6R)-6-{[(2R)-2-amino-2-(4-hydroxyphenyl)acetyl]amino}-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid 6-(D-(-)-p-Hydroxy-alpha-aminobenzyl)penicillin 6-(a-Amino-4-hydroxyphenylacetamido)penicillanic acid 6-(p-Hydroxy-a-aminophenylacetamido)penicillanate 6-(p-Hydroxy-a-aminophenylacetamido)penicillanic acid 6-(p-Hydroxy-alpha-aminophenylacetamido)penicillanate 6-(p-Hydroxy-alpha-aminophenylacetamido)penicillanic acid 6-[[Amino(4-hydroxyphenyl)acetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 9ci AMPC AUGMENTIN '125' AUGMENTIN '200' AUGMENTIN '250' AUGMENTIN '400' AUGMENTIN '500' AUGMENTIN '875' AUGMENTIN es-600 AX Actimoxi Almodan Amix Amoclen Amolin Amopen Amopenixin Amoram Amox 250 cap 250MG Amox 500 cap 500MG Amox S 125 sus 125mg/5ML Amox S 250 sus 250mg/5ML Amoxi Amoxi-mast Amoxicaps Amoxicilina Amoxicillin (anhydrous) Amoxicillin and clavulanate potassium Amoxicillin anhydrous Amoxicillin clariana brand Amoxicillin monopotassium salt Amoxicillin monosodium salt Amoxicillin pediatric Amoxicillin sodium Amoxicillin trihydrate Amoxicillin(usan) Amoxicillin, (r*)-isomer Amoxicilline Amoxicillinum Amoxid Amoxiden Amoxil Amoxivet Amoxycilin Amoxycillin Amoxycillin trihydrate Amoxycillin, ban Amoxymed Amrit Anemolin Anhydrous, amoxicillin Apo-amoxi Apo-amoxi PWR for susp 125mg/5ML Apo-amoxi PWR for susp 250mg/5ML Apo-amoxi cap 250MG Apo-amoxi cap 500MG Apo-amoxi sugar free Aspenil BRL 2333 Biomox Bristamox Cemoxin Clamoxyl Clamoxyl (SKB) Clamoxyl g.a. Clamoxyl parenteral Clariana brand OF amoxicillin D-(-)-alpha-Amino-p-hydroxybenzyl penicillin D-(-)-alpha-Amino-p-hydroxybenzylpenicillin D-(alpha-Amino-p-hydroxybenzyl)penicillin D-2-Amino-2-(4-hydroxyphenyl)acetamidopenicillanic acid D-Amoxicillin Delacillin Dispermox Efpenix Flemoxin G.A., clamoxyl Galenamox Gen-amoxicillin 250MG Gen-amoxicillin 500MG Hiconcil Histocillin Hydroxyampicillin Ibiamox Imacillin Larotid Metafarma capsules Metifarma capsules Moxacin Moxal Moxatag Novamoxin cap 250MG Novamoxin cap 500MG Novamoxin sus 125mg/5ML Novamoxin sus 250mg/5ML Nu-amoxi cap 250MG Nu-amoxi cap 500MG Nu-amoxi sus 125/5ML Nu-amoxi sus 250mg/5ML Ospamox PHL-Amoxicillin PMS-Amoxicillin Parenteral, clamoxyl Penamox Pfizer brand OF amoxicillin sodium salt Piramox Polymox Prevpac Pro amox PWR for oral susp 125mg/5ML Pro amox-250 cap 250MG Pro amox-500 cap 500MG Pro-amox-250 orl sus 250mg/5ML R-Hydroxyampicillin Rimoxallin Robamox Sauracillin Sawamox PM SmithKline beecham brand OF amoxicillin sodium salt Sodium, amoxicillin Sumox Trihydrate, amoxicillin Trimox Unicillin Utimox Vetramox Wymox a-Amino-p-hydroxybenzylpenicillin alpha-Amino-p-hydroxybenzylpenicillin alpha-amino-p-hydroxybenzylpenicillin amoxicillin p-Hydroxyampicillin
sabiork.compound:8951 sabiorkM:8951 kegg.compound:C06827 keggC:C06827 LSQZJLSUYDQPKJ-NJBDSQKTSA-N	Amoxicillin Amoxicillin anhydrous
seed.compound:cpd04194 seedM:cpd04194 LSQZJLSUYDQPKJ-NJBDSQKTSA-N	Amoxicillin Amoxicillin anhydrous amoxicillin
sabiork.compound:24745 sabiorkM:24745 LSQZJLSUYDQPKJ-NJBDSQKTSA-N	Amoxycillin
metacyc.compound:CPD0-2608 metacycM:CPD0-2608 LSQZJLSUYDQPKJ-NJBDSQKTSA-N	amoxicillin
CHEBI:51256 chebi:51256 LSQZJLSUYDQPKJ-NJBDSQKTSA-M	amoxicillin(1-) (2S,5R,6R)-6-{[(2R)-2-amino-2-(4-hydroxyphenyl)acetyl]amino}-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate 6beta-[(2R)-2-amino-2-(4-hydroxyphenyl)acetamido]-2,2-dimethylpenam-3alpha-carboxylate
envipath:...048611f6db8c envipathM:...048611f6db8c envipath:...1ab8d026edaf envipathM:...1ab8d026edaf LSQZJLSUYDQPKJ-NJBDSQKTSA-M	compound 0054117
hmdb:HMDB0030500 hmdb:HMDB15193 hmdb:HMDB30500 chebi:133770 keggC:M_C06827 keggD:M_D07452 seedM:M_cpd04194	secondary/obsolete/fantasy identifier