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

Feedback

clavulanate

	Properties	Image
MNX_ID	MNXM5682
reference	chebi:487869
formula	C₈H₈NO₅
global charge	-1
mol weight	198.154
InChIKey	HZZVJAQRINQKSD-PBFISZAISA-M
InChI	InChI=1S/C8H9NO5/c10-2-1-4-7(8(12)13)9-5(11)3-6(9)14-4/h1,6-7,10H,2-3H2,(H,12,13)/p-1/b4-1-/t6-,7-/m1/s1
SMILES	O=C([O-])[C@H]1/C(=C/CO)O[C@@H]2CC(=O)N21

MNX internals

InChI (mnx)	InChI=1/C8H9NO5/c10-2-1-4-7(8(12)13)9-5(11)3-6(9)14-4/h1,6-7,10H,2-3H2,(H,12,13)/b4-1-/t6-,7-/m1/s1
SMILES (mnx)	[CH:1](\[CH2:2][OH:10])=[C:4]1/[C@H:7]([C:8](=[O:12])[OH:13])[N:9]2[C:5](=[O:11])[CH2:3][C@H:6]2[O:14]1

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	4
in models (compartimentalized)	0

Similar chemical compounds in external resources
Identifier	Description
CHEBI:487869 chebi:487869 HZZVJAQRINQKSD-PBFISZAISA-M	clavulanate (2R,3Z,5R)-3-(2-hydroxyethylidene)-7-oxo-4-oxa-1-azabicyclo[3.2.0]heptane-2-carboxylate (2R,5R,Z)-3-(2-hydroxyethylidene)-7-oxo-4-oxa-1-aza-bicyclo[3.2.0]heptane-2-carboxylate clavulanic acid anion
hmdb:HMDB0014904 HZZVJAQRINQKSD-PBFISZAISA-N	Clavulanate (2R,3Z,5R)-3-(2-HYDROXYETHYLIDENE)-7-oxo-4-oxa-1-azabicyclo[3.2.0]heptane-2-carboxylIC ACID (2R,3Z,5R)-3-(2-HYDROXYETHYLIDENE)-7-oxo-4-oxa-1-azabicyclo[3.2.0]heptane-2-carboxylate (2R,3Z,5R)-3-(2-hydroxyethylidene)-7-oxo-4-oxa-1-azabicyclo[3.2.0]heptane-2-carboxylic acid (Z)-(2R,5R)-3-(2-Hydroxyethylidene)-7-oxo-4-oxa-1-azabicyclo(3.2.0)heptane-2-carboxylate (Z)-(2R,5R)-3-(2-Hydroxyethylidene)-7-oxo-4-oxa-1-azabicyclo(3.2.0)heptane-2-carboxylic acid Acide clavulanique Acido clavulanico Acidum clavulanicum Antibiotic MM 14151 CVA Clavulanate potassium Clavulanate, potassium Clavulanate, sodium Clavulanic acid Clavulanic acid, monopotassium salt Clavulanic acid, monosodium salt Clavulansaeure Clavulonate Clavulonic acid Clavulox MM 14151 Potassium clavulanate Potassium, clavulanate Sodium clavulanate clavulanate
seed.compound:cpd04065 seedM:cpd04065 HZZVJAQRINQKSD-PBFISZAISA-M	Clavulanate (3R,5R)-clavulanic acid Clavulanic acid clavulanate
kegg.drug:D07711 keggD:D07711 HZZVJAQRINQKSD-PBFISZAISA-N	Clavulanic acid (INN) Clavulox (TN)
sabiork.compound:8820 sabiorkM:8820 kegg.compound:C06662 keggC:C06662 HZZVJAQRINQKSD-PBFISZAISA-N	Clavulanic acid Clavulanate
metacyc.compound:CPD-9261 metacycM:CPD-9261 HZZVJAQRINQKSD-PBFISZAISA-M	clavulanate (3R,5R)-clavulanic acid clavulanic acid
CHEBI:48947 chebi:48947 HZZVJAQRINQKSD-PBFISZAISA-N	clavulanic acid (2R,3Z,5R)-3-(2-HYDROXYETHYLIDENE)-7-OXO-4-OXA-1-AZABICYCLO[3.2.0]HEPTANE-2-CARBOXYLIC ACID (2R,3Z,5R)-3-(2-hydroxyethylidene)-7-oxo-4-oxa-1-azabicyclo[3.2.0]heptane-2-carboxylic acid (Z)-(2R,5R)-3-(2-Hydroxyethylidene)-7-oxo-4-oxa-1-azabicyclo(3.2.0)heptane-2-carboxylic acid Clavulanate Clavulanic acid Clavulansaeure MM 14151 acide clavulanique acido clavulanico acidum clavulanicum antibiotic MM 14151 clavulonic acid
hmdb:HMDB14904 chebi:3736 chebi:43442 keggC:M_C06662 keggD:M_D07711 seedM:M_cpd04065	secondary/obsolete/fantasy identifier