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

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aztreonam

	Properties	Image
MNX_ID	MNXM102946
reference	chebi:161680
formula	C₁₃H₁₇N₅O₈S₂
global charge	0
mol weight	435.44
InChIKey	WZPBZJONDBGPKJ-VEHQQRBSSA-N
InChI	InChI=1S/C13H17N5O8S2/c1-5-7(10(20)18(5)28(23,24)25)16-9(19)8(6-4-27-12(14)15-6)17-26-13(2,3)11(21)22/h4-5,7H,1-3H3,(H2,14,15)(H,16,19)(H,21,22)(H,23,24,25)/b17-8-/t5-,7-/m0/s1
SMILES	C[C@H]1[C@H](NC(=O)/C(=N\OC(C)(C)C(=O)O)C2=CSC([NH3+])=N2)C(=O)N1S(=O)(=O)[O-]

MNX internals

InChI (mnx)	InChI=1/C13H17N5O8S2/c1-5-7(10(20)18(5)28(23,24)25)16-9(19)8(6-4-27-12(14)15-6)17-26-13(2,3)11(21)22/h4-5,7H,1-3H3,(H2,14,15)(H,16,19)(H,21,22)(H,23,24,25)/b17-8-/t5-,7-/m0/s1
SMILES (mnx)	[CH3:1][C@H:5]1[C@H:7](/[N:16]=[C:9]([C:8](/[C:6]2=[CH:4][S:27][C:12](=[NH:14])[NH:15]2)=[N:17]\[O:26][C:13]([CH3:2])([CH3:3])[C:11](=[O:21])[OH:22])\[OH:19])[C:10](=[O:20])[N:18]1[S:28]([OH:23])(=[O:24])=[O:25]

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
metacyc.compound:CPD-9235 metacycM:CPD-9235 CHEBI:161680 chebi:161680 WZPBZJONDBGPKJ-VEHQQRBSSA-M WZPBZJONDBGPKJ-VEHQQRBSSA-N	aztreonam (2S,3S)-3-{(2Z)-2-(2-ammonio-1,3-thiazol-4-yl)-2-[(2-carboxypropan-2-yloxy)imino]acetamido}-2-methyl-4-oxoazetidine-1-sulfonate (Z,)-2-((((2-Amino-4-thiazolyl)(((2S,3S,)-2-methyl-4-oxo-1-sulfo-3-azetidinyl)carbamoyl)methylene)amino)oxy)-2-methylpropionic acid AZT Azactam Primbactam aztreonamum
kegg.drug:D00240 keggD:D00240 WZPBZJONDBGPKJ-VEHQQRBSSA-N	Aztreonam (JP18/USP/INN) Azactam (TN)
hmdb:HMDB0014499 WZPBZJONDBGPKJ-VEHQQRBSSA-N	Aztreonam (Z,)-2-((((2-Amino-4-thiazolyl)(((2S,3S,)-2-methyl-4-oxo-1-sulfO-3-azetidinyl)carbamoyl)methylene)amino)oxy)-2-methylpropionate (Z,)-2-((((2-Amino-4-thiazolyl)(((2S,3S,)-2-methyl-4-oxo-1-sulfO-3-azetidinyl)carbamoyl)methylene)amino)oxy)-2-methylpropionic acid (Z,)-2-((((2-Amino-4-thiazolyl)(((2S,3S,)-2-methyl-4-oxo-1-sulphO-3-azetidinyl)carbamoyl)methylene)amino)oxy)-2-methylpropionate (Z,)-2-((((2-Amino-4-thiazolyl)(((2S,3S,)-2-methyl-4-oxo-1-sulphO-3-azetidinyl)carbamoyl)methylene)amino)oxy)-2-methylpropionic acid 2-{[(Z)-[(2-amino-1,3-thiazol-4-yl)({[(2S,3S)-2-methyl-4-oxo-1-sulfoazetidin-3-yl]carbamoyl})methylidene]amino]oxy}-2-methylpropanoic acid AZT Az threonam Az-threonam Azactam Azthreonam Aztreonam esteve brand Aztreonam squibb brand Aztreonamum Bristol myers squibb brand OF aztreonam Bristol-myers squibb brand OF aztreonam Esteve brand OF aztreonam Monobactam Primbactam Sanofi winthrop brand OF aztreonam Squibb brand OF aztreonam Urobactam aztreonam
seed.compound:cpd04201 seedM:cpd04201 WZPBZJONDBGPKJ-VEHQQRBSSA-L	Aztreonam Azactam Monobactam Primbactam aztreonam
sabiork.compound:8964 sabiorkM:8964 kegg.compound:C06840 keggC:C06840 WZPBZJONDBGPKJ-VEHQQRBSSA-N	Aztreonam Monobactam
hmdb:HMDB14499 chebi:2960 chebi:41008 keggC:M_C06840 keggD:M_D00240 seedM:M_cpd04201	secondary/obsolete/fantasy identifier