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

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tazobactam

	Properties	Image
MNX_ID	MNXM730127
reference	chebi:9421
formula	C₁₀H₁₂N₄O₅S
global charge	0
mol weight	300.296
InChIKey	LPQZKKCYTLCDGQ-WEDXCCLWSA-N
InChI	InChI=1S/C10H12N4O5S/c1-10(5-13-3-2-11-12-13)8(9(16)17)14-6(15)4-7(14)20(10,18)19/h2-3,7-8H,4-5H2,1H3,(H,16,17)/t7-,8+,10+/m1/s1
SMILES	C[C@]1(CN2C=CN=N2)[C@H](C(=O)O)N2C(=O)C[C@H]2S1(=O)=O

MNX internals

InChI (mnx)	InChI=1/C10H12N4O5S/c1-10(5-13-3-2-11-12-13)8(9(16)17)14-6(15)4-7(14)20(10,18)19/h2-3,7-8H,4-5H2,1H3,(H,16,17)/t7-,8+,10+/m1/s1
SMILES (mnx)	[CH3:1][C@:10]1([CH2:5][N:13]2[CH:3]=[CH:2][N:11]=[N:12]2)[C@H:8]([C:9](=[O:16])[OH:17])[N:14]2[C:6](=[O:15])[CH2:4][C@H:7]2[S:20]1(=[O:18])=[O:19]

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:9421 chebi:9421 LPQZKKCYTLCDGQ-WEDXCCLWSA-N	tazobactam (2S,3S,5R)-3-methyl-4,4,7-trioxo-3-[(1H-1,2,3-triazol-1-yl)methyl]-4lambda(6)-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid (2S,3S,5S)-3-methyl-7-oxo-3-(1H-1,2,3-triazol-1-ylmethyl)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid 4,4-dioxide tazobactamum
seed.compound:cpd04890 seedM:cpd04890 sabiork.compound:9875 sabiorkM:9875 kegg.compound:C07771 keggC:C07771 LPQZKKCYTLCDGQ-WEDXCCLWSA-M LPQZKKCYTLCDGQ-WEDXCCLWSA-N	Tazobactam
kegg.drug:D00660 keggD:D00660 LPQZKKCYTLCDGQ-WEDXCCLWSA-N	Tazobactam (JP18/USP/INN)
hmdb:HMDB0015544 LPQZKKCYTLCDGQ-WEDXCCLWSA-N	Tazobactam (2S,3S,5R)-3-methyl-4,4,7-trioxo-3-(1H-1,2,3-triazol-1-ylmethyl)-4lambda⁶-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid (2S,3S,5S)-3-Methyl-7-oxo-3-(1H-1,2,3-triazol-1-ylmethyl)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate 4,4-dioxide (2S,3S,5S)-3-Methyl-7-oxo-3-(1H-1,2,3-triazol-1-ylmethyl)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid 4,4-dioxide Taszobactam sodium Tazobactam sodium Tazobactamum YTR 830 YTR 830H YTR-830 tazobactam
CHEBI:85193 chebi:85193 LPQZKKCYTLCDGQ-WEDXCCLWSA-M	tazobactam(1-) (2S,3S,5R)-3-methyl-4,4,7-trioxo-3-[(1H-1,2,3-triazol-1-yl)methyl]-4lambda(6)-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate tazobactam anion
hmdb:HMDB15544 chebi:45973 keggC:M_C07771 keggD:M_D00660 seedM:M_cpd04890	secondary/obsolete/fantasy identifier