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

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carbenicillin

	Properties	Image
MNX_ID	MNXM729541
reference	chebi:3393
formula	C₁₇H₁₈N₂O₆S
global charge	0
mol weight	378.406
InChIKey	FPPNZSSZRUTDAP-UWFZAAFLSA-N
InChI	InChI=1S/C17H18N2O6S/c1-17(2)11(16(24)25)19-13(21)10(14(19)26-17)18-12(20)9(15(22)23)8-6-4-3-5-7-8/h3-7,9-11,14H,1-2H3,(H,18,20)(H,22,23)(H,24,25)/t9?,10-,11+,14-/m1/s1
SMILES	CC1(C)S[C@@H]2[C@H](NC(=O)C(C(=O)O)C3=CC=CC=C3)C(=O)N2[C@H]1C(=O)O

MNX internals

InChI (mnx)	InChI=1/C17H18N2O6S/c1-17(2)11(16(24)25)19-13(21)10(14(19)26-17)18-12(20)9(15(22)23)8-6-4-3-5-7-8/h3-7,9-11,14H,1-2H3,(H,18,20)(H,22,23)(H,24,25)/t9?,10-,11+,14-/m1/s1
SMILES (mnx)	[CH3:1][C:17]1([CH3:2])[C@H:11]([C:16](=[O:24])[OH:25])[N:19]2[C:13](=[O:21])[C@@H:10]([N:18]=[C:12]([CH:9]([C:8]3=[CH:6][CH:4]=[CH:3][CH:5]=[CH:7]3)[C:15](=[O:22])[OH:23])[OH:20])[C@H:14]2[S:26]1

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	1
in models (compartimentalized)	0

Similar chemical compounds in external resources
Identifier	Description
CHEBI:3393 chebi:3393 FPPNZSSZRUTDAP-UWFZAAFLSA-N	carbenicillin (2S,5R,6R)-6-{[carboxy(phenyl)acetyl]amino}-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid 6beta-(2-carboxy-2-phenylacetamido)-2,2-dimethylpenam-3alpha-carboxylic acid CBPC N-(2-carboxy-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo(3.2.0)hept-6-yl)-2-phenylmalonamic acid alpha-carboxybenzylpencillin alpha-phenyl(carboxymethylpenicillin) carbenicilina carbenicilline carbenicillinum carboxybenzylpenicillin
kegg.compound:C06869 keggC:C06869 FPPNZSSZRUTDAP-UWFZAAFLSA-N	Carbenicillin
kegg.drug:D07614 keggD:D07614 FPPNZSSZRUTDAP-UWFZAAFLSA-N	Carbenicillin (INN)
hmdb:HMDB0014717 FPPNZSSZRUTDAP-UWFZAAFLSA-N	Carbenicillin (2S,5R,6R)-6-(2-carboxy-2-phenylacetamido)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid (2S,5R,6R)-6-{[carboxy(phenyl)acetyl]amino}-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate (2S,5R,6R)-6-{[carboxy(phenyl)acetyl]amino}-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid Anabactyl CBPC CSL Brand OF carbenicillin disodium salt Carbapen Carbecin Carbenicilina Carbenicillin disodium Carbenicillina Carbenicilline Carbenicillinum Carboxybenzyl penicillin Carboxybenzylpenicillin Carboxybenzylpenicillin acid Disodium, carbenicillin Geopen Microcillin N-(2-Carboxy-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo(3.2.0)hept-6-yl)-2-phenylmalonamate N-(2-Carboxy-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo(3.2.0)hept-6-yl)-2-phenylmalonamic acid Penicillin, carboxybenzyl Pyopen Sanfer brand OF carbenicillin disodium salt a-Carboxybenzylpencillin a-Phenyl(carboxymethylpenicillin) alpha-Carboxybenzylpencillin alpha-Phenyl(carboxymethylpenicillin) alpha-carboxybenzylpencillin alpha-phenyl(carboxymethylpenicillin) carbenicillin
sabiork.compound:20022 sabiorkM:20022 FPPNZSSZRUTDAP-UWFZAAFLSA-N	Carbenicillin 7-(2-carboxy-2-phenyl-acetyl)amino-3,3-dimethyl-6-oxo-2-thia-5-azabicyclo[3.2.0]heptane-4-carboxylic acid
seed.compound:cpd04220 seedM:cpd04220 FPPNZSSZRUTDAP-UWFZAAFLSA-L	Carbenicillin Pyopen carbenicillin carboxybenzylpenicillin pyopen
CHEBI:51897 chebi:51897 FPPNZSSZRUTDAP-UWFZAAFLSA-L	carbenicillin(2-) (2S,5R,6R)-6-{[carboxylato(phenyl)acetyl]amino}-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate 6beta-(2-carboxylato-2-phenylacetamido)-2,2-dimethylpenam-3alpha-carboxylate
metacyc.compound:CPD-9218 metacycM:CPD-9218 FPPNZSSZRUTDAP-UWFZAAFLSA-L	carbenicillin carboxybenzylpenicillin pyopen
hmdb:HMDB14717 keggC:M_C06869 keggD:M_D07614 seedM:M_cpd04220	secondary/obsolete/fantasy identifier