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

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(2S,5R,6R)-6-[[(2S)-2-amino-2-(4-hydroxyphenyl)-1-oxoethyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid

	Properties	Image
MNX_ID	MNXM171828
reference	chebi:95232
formula	C₁₆H₁₉N₃O₅S
global charge	0
mol weight	365.411
InChIKey	LSQZJLSUYDQPKJ-BBGACYKPSA-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+/m0/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+/m0/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)	0
in models (compartimentalized)	0

Similar chemical compounds in external resources
Identifier	Description
CHEBI:95232 chebi:95232 LSQZJLSUYDQPKJ-BBGACYKPSA-N	(2S,5R,6R)-6-[[(2S)-2-amino-2-(4-hydroxyphenyl)-1-oxoethyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
hmdb:HMDB0243588 LSQZJLSUYDQPKJ-UHFFFAOYSA-N	4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 6-[[(2R)-2-amino-2-(4-hydroxyphenyl)acetyl]amino]-3,3-dimethyl-7-oxo-, (2S,5R,6R)- 6-(D-(-)-P-Hydroxy-alpha-aminobenzyl)penicillin 6-(P-Hydroxy-alpha-aminophenylacetamido)penicillanic acid 6-(a-amino-4-hydroxyphenylacetamido)Penicillanic acid 6-[2-amino-2-(4-hydroxyphenyl)acetamido]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic 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 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 Amoxicillin (anhydrous) Amoxicillin and clavulanate potassium Amoxicillin anhydrous Amoxicillin pediatric Amoxicillin trihydrate Amoxicillin(usan) Amoxicilline Amoxicillinum Amoxid Amoxiden Amoxil Amoxivet Amoxycillin trihydrate Amoxycillin, ban Amoxymed Amrit Anemolin Aspenil BRL 2333 Biomox Bristamox Cemoxin Clamoxyl Clamoxyl (SKB) 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 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 P-Hydroxyampicillin PHL-Amoxicillin PMS-Amoxicillin Piramox Polymox Prevpac R-Hydroxyampicillin Rimoxallin Robamox Sauracillin Sawamox PM Sumox Trimox Unicillin Utimox Vetramox Wymox alpha-amino-P-Hydroxybenzylpenicillin amoxil 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 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
envipath:...112c5815b0cd envipathM:...112c5815b0cd LSQZJLSUYDQPKJ-UHFFFAOYSA-N	compound 0050861