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

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meropenem

	Properties	Image
MNX_ID	MNXM61465
reference	chebi:43968
formula	C₁₇H₂₅N₃O₅S
global charge	0
mol weight	383.47
InChIKey	DMJNNHOOLUXYBV-PQTSNVLCSA-N
InChI	InChI=1S/C17H25N3O5S/c1-7-12-11(8(2)21)16(23)20(12)13(17(24)25)14(7)26-9-5-10(18-6-9)15(22)19(3)4/h7-12,18,21H,5-6H2,1-4H3,(H,24,25)/t7-,8-,9+,10+,11-,12-/m1/s1
SMILES	C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(S[C@@H]3CN[C@H](C(=O)N(C)C)C3)[C@H](C)[C@H]12

MNX internals

InChI (mnx)	InChI=1/C17H25N3O5S/c1-7-12-11(8(2)21)16(23)20(12)13(17(24)25)14(7)26-9-5-10(18-6-9)15(22)19(3)4/h7-12,18,21H,5-6H2,1-4H3,(H,24,25)/t7-,8-,9+,10+,11-,12-/m1/s1
SMILES (mnx)	[CH3:1][C@@H:7]1[C@@H:12]2[C@@H:11]([C@@H:8]([CH3:2])[OH:21])[C:16](=[O:23])[N:20]2[C:13]([C:17](=[O:24])[OH:25])=[C:14]1[S:26][C@H:9]1[CH2:5][C@@H:10]([C:15]([N:19]([CH3:3])[CH3:4])=[O:22])[NH:18][CH2:6]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:43968 chebi:43968 DMJNNHOOLUXYBV-PQTSNVLCSA-N	meropenem (1R,5S,6S)-2-[(3S,5S)-5-DIMETHYLAMINOCARBONYLPYRROLIDIN-3-YLTHIO]-6-[(R)-1-HYDROXYETHYL]-1-METHYLCARBAPEN-2-EM-3-CARBOXYLIC ACID (4R,5S,6S)-3-{[(3S,5S)-5-(dimethylcarbamoyl)pyrrolidin-3-yl]thio}-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid (6S)-2-{[(3S,5S)-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl}-6-[(1R)-1-hydroxyethyl]-1beta-methyl-2,3-didehydro-1-carbapenam-3-carboxylic acid Antibiotic SM 7338 MEPM Meropenem meropenem anhydrous meropenemum
sabiork.compound:20051 sabiorkM:20051 DMJNNHOOLUXYBV-PQTSNVLCSA-N	Meropenem
kegg.drug:D08185 keggD:D08185 DMJNNHOOLUXYBV-PQTSNVLCSA-N	Meropenem (INN) Meronem (TN) Merrem I.V. (TN)
hmdb:HMDB0014898 DMJNNHOOLUXYBV-PQTSNVLCSA-N	Meropenem (1R,5S,6S)-2-[(3S,5S)-5-DIMETHYLAMINOCARBONYLPYRROLIDIN-3-ylthio]-6-[(R)-1-hydroxyethyl]-1-methylcarbapen-2-em-3-carboxylIC ACID (1R,5S,6S)-2-[(3S,5S)-5-DIMETHYLAMINOCARBONYLPYRROLIDIN-3-ylthio]-6-[(R)-1-hydroxyethyl]-1-methylcarbapen-2-em-3-carboxylate (4R,5S,6S)-3-{[(3S,5S)-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl}-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid (4R,5S,6S)-3-{[(3S,5S)-5-(dimethylcarbamoyl)pyrrolidin-3-yl]thio}-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate (4R,5S,6S)-3-{[(3S,5S)-5-(dimethylcarbamoyl)pyrrolidin-3-yl]thio}-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid 3-(5-Dimethylcarbamoylpyrrolidin-3-ylthio)-6-(1-hydroxyethyl)-4-methyl-7-oxo-1-azabicyclo(3.2.0)hept-2-ene-2-carboxylic acid Antibiotic SM 7338 MEPM Meronem Meropenem anhydrous Meropenemum Merrem Merrem i.v. Penem Ronem meropenem
metacyc.compound:CPD0-2611 metacycM:CPD0-2611 seed.compound:cpd35197 seedM:cpd35197 DMJNNHOOLUXYBV-PQTSNVLCSA-N	meropenem
hmdb:HMDB14898 keggD:M_D08185 seedM:M_cpd35197	secondary/obsolete/fantasy identifier