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Record Information

Version

5.0

Status

Expected but not Quantified

Creation Date

2012-09-06 15:16:50 UTC

Update Date

2023-02-21 17:18:19 UTC

HMDB ID

HMDB0014904

Secondary Accession Numbers

HMDB14904

Metabolite Identification

Common Name

Clavulanate

Description

Clavulanate, also known as acido clavulanico or clavulansaeure, belongs to the class of organic compounds known as alpha amino acids and derivatives. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon), or a derivative thereof. Clavulanate is a primary metabolite. Primary metabolites are metabolically or physiologically essential metabolites. They are directly involved in an organism’s growth, development or reproduction. Based on a literature review a significant number of articles have been published on Clavulanate.

Structure

MOL 3D MOL SDF 3D SDF PDB 3D PDB SMILES InChI

766
  Mrv0541 02231214592D          

 15 16  0  0  1  0            999 V2000
    3.8486    1.1438    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500   -0.5242    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9106   -1.1472    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5515   -1.5889    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3961    1.1908    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0640    0.0638    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0640    0.8888    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.8486   -0.1912    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.2322    0.8922    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2322    0.0604    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3336    0.4763    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1036   -0.9757    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1586    0.4763    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5711    1.1908    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9621    1.5409    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0  0  0  0
  1 11  1  0  0  0  0
  2 10  2  0  0  0  0
  3 12  1  0  0  0  0
  4 12  2  0  0  0  0
  5 14  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  6 10  1  0  0  0  0
  7  9  1  0  0  0  0
  7 15  1  6  0  0  0
  8 11  1  0  0  0  0
  8 12  1  6  0  0  0
  9 10  1  0  0  0  0
 11 13  2  0  0  0  0
 13 14  1  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0014904

> <DATABASE_NAME>
hmdb

> <SMILES>
[H][C@@]12CC(=O)N1[C@@H](C(O)=O)\C(O2)=C\CO

> <INCHI_IDENTIFIER>
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)/b4-1-/t6-,7-/m1/s1

> <INCHI_KEY>
HZZVJAQRINQKSD-PBFISZAISA-N

> <FORMULA>
C8H9NO5

> <MOLECULAR_WEIGHT>
199.1608

> <EXACT_MASS>
199.048072403

> <JCHEM_ACCEPTOR_COUNT>
5

> <JCHEM_AVERAGE_POLARIZABILITY>
18.127806374561942

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
2

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(2R,3Z,5R)-3-(2-hydroxyethylidene)-7-oxo-4-oxa-1-azabicyclo[3.2.0]heptane-2-carboxylic acid

> <ALOGPS_LOGP>
-1.16

> <JCHEM_LOGP>
-1.521207563

> <ALOGPS_LOGS>
0.23

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA>
15.522017294386345

> <JCHEM_PKA_STRONGEST_ACIDIC>
3.316908146355913

> <JCHEM_PKA_STRONGEST_BASIC>
-2.572438391835412

> <JCHEM_POLAR_SURFACE_AREA>
87.07

> <JCHEM_REFRACTIVITY>
44.252500000000005

> <JCHEM_ROTATABLE_BOND_COUNT>
2

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
3.37e+02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
clavulanate

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 23-FEB-12   NONE
TITLE     NULL                                                        
COMPND    MOLECULE: 766                                               
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   23-FEB-12         0                                  
HETATM    1  O   UNK     0       7.184   2.135   0.000  0.00  0.00           O+0
HETATM    2  O   UNK     0       3.080  -0.979   0.000  0.00  0.00           O+0
HETATM    3  O   UNK     0       9.166  -2.141   0.000  0.00  0.00           O+0
HETATM    4  O   UNK     0       6.629  -2.966   0.000  0.00  0.00           O+0
HETATM    5  O   UNK     0      11.939   2.223   0.000  0.00  0.00           O+0
HETATM    6  N   UNK     0       5.719   0.119   0.000  0.00  0.00           N+0
HETATM    7  C   UNK     0       5.719   1.659   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       7.184  -0.357   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       4.167   1.665   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       4.167   0.113   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       8.089   0.889   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       7.660  -1.821   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       9.629   0.889   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0      10.399   2.223   0.000  0.00  0.00           C+0
HETATM   15  H   UNK     0       5.529   2.876   0.000  0.00  0.00           H+0
CONECT    1    7   11                                                       
CONECT    2   10                                                            
CONECT    3   12                                                            
CONECT    4   12                                                            
CONECT    5   14                                                            
CONECT    6    7    8   10                                                  
CONECT    7    1    6    9   15                                             
CONECT    8    6   11   12                                                  
CONECT    9    7   10                                                       
CONECT   10    2    6    9                                                  
CONECT   11    1    8   13                                                  
CONECT   12    3    4    8                                                  
CONECT   13   11   14                                                       
CONECT   14    5   13                                                       
CONECT   15    7                                                            
MASTER        0    0    0    0    0    0    0    0   15    0   32    0
END

View in JSmol View NMR Assignments View Stereo Labels

Synonyms

Value	Source
(2R,3Z,5R)-3-(2-HYDROXYETHYLIDENE)-7-oxo-4-oxa-1-azabicyclo[3.2.0]heptane-2-carboxylIC ACID	ChEBI
(Z)-(2R,5R)-3-(2-Hydroxyethylidene)-7-oxo-4-oxa-1-azabicyclo(3.2.0)heptane-2-carboxylic acid	ChEBI
Acide clavulanique	ChEBI
Acido clavulanico	ChEBI
Acidum clavulanicum	ChEBI
Antibiotic MM 14151	ChEBI
Clavulansaeure	ChEBI
Clavulonic acid	ChEBI
MM 14151	ChEBI
Clavulox	Kegg
(2R,3Z,5R)-3-(2-HYDROXYETHYLIDENE)-7-oxo-4-oxa-1-azabicyclo[3.2.0]heptane-2-carboxylate	Generator
(Z)-(2R,5R)-3-(2-Hydroxyethylidene)-7-oxo-4-oxa-1-azabicyclo(3.2.0)heptane-2-carboxylate	Generator
Clavulonate	Generator
Clavulanic acid	Generator
Clavulanate potassium	MeSH, HMDB
Clavulanic acid, monopotassium salt	MeSH, HMDB
Clavulanic acid, monosodium salt	MeSH, HMDB
Potassium clavulanate	MeSH, HMDB
Potassium, clavulanate	MeSH, HMDB
Clavulanate, potassium	MeSH, HMDB
Clavulanate, sodium	MeSH, HMDB
Sodium clavulanate	MeSH, HMDB
Clavulanate	ChEBI
CVA	KEGG

Chemical Formula

C₈H₉NO₅

Average Molecular Weight

199.1608

Monoisotopic Molecular Weight

199.048072403

IUPAC Name

(2R,3Z,5R)-3-(2-hydroxyethylidene)-7-oxo-4-oxa-1-azabicyclo[3.2.0]heptane-2-carboxylic acid

Traditional Name

clavulanate

CAS Registry Number

58001-44-8

SMILES

[H][C@@]12CC(=O)N1[C@@H](C(O)=O)\C(O2)=C\CO

InChI Identifier

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)/b4-1-/t6-,7-/m1/s1

InChI Key

HZZVJAQRINQKSD-PBFISZAISA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as alpha amino acids and derivatives. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon), or a derivative thereof.

Kingdom

Organic compounds

Super Class

Organic acids and derivatives

Class

Carboxylic acids and derivatives

Sub Class

Amino acids, peptides, and analogues

Direct Parent

Alpha amino acids and derivatives

Alternative Parents

Substituents

Alpha-amino acid or derivatives
Clavam
Para-oxazepine
Beta-lactam
Tertiary carboxylic acid amide
Oxazolidine
Azetidine
Carboxamide group
Lactam
Oxacycle
Azacycle
Organoheterocyclic compound
Carboxylic acid
Monocarboxylic acid or derivatives
Organic nitrogen compound
Organonitrogen compound
Organooxygen compound
Primary alcohol
Hydrocarbon derivative
Carbonyl group
Organic oxide
Organopnictogen compound
Organic oxygen compound
Alcohol
Aliphatic heteropolycyclic compound

Molecular Framework

Aliphatic heteropolycyclic compounds

External Descriptors

oxapenam (CHEBI:48947 )
Clavams (C06662 )

Ontology

Physiological effect

Not Available

Disposition

Biological location

Non-excretory biofluid

Biofluid or Excreta

Blood (HMDB: HMDB0014904)

Excreta

Biofluid or Excreta

Urine (HMDB: HMDB0014904)

Route of exposure

Parenteral

Dermal (HMDB: HMDB0014904)

Process

Not Available

Role

Industrial application

Manufacturing industry

Material processing agent

Coloring agent

Fluorescent agent

Antipsychotic (HMDB: HMDB0014904)

Solid material processing agent

Protective agent

Antioxidant (HMDB: HMDB0014904)

Fluid processing agent

Surfactant

Surface-active agent (HMDB: HMDB0014904)

Combustive element

Explosive (HMDB: HMDB0014904)

Pharmaceutical industry

Agriculture

Pesticide

Rodenticide (HMDB: HMDB0014904)

Food and nutrition

Food additive

Nutritional supplement

Enzyme replacement agent (HMDB: HMDB0014904)

Biological role

Coagulant (HMDB: HMDB0014904)

Modulator

Inhibitor

Enzyme inhibitor

Serotonin reuptake inhibitor (HMDB: HMDB0014904)

Membrane transport modulator

Sodium chloride symporter inhibitor (HMDB: HMDB0014904)

Indirect biological role

Metabotoxin

Teratogen (HMDB: HMDB0014904)

Physical Properties

State

Solid

Experimental Molecular Properties

Property	Value	Reference
Melting Point	117.5 - 118 °C	Not Available
Boiling Point	Not Available	Not Available
Water Solubility	337 g/L	Not Available
LogP	-1.5	Not Available

Experimental Chromatographic Properties

Not Available

Predicted Molecular Properties

Property	Value	Source
Water Solubility	337 g/L	ALOGPS
logP	-1.2	ALOGPS
logP	-1.5	ChemAxon
logS	0.23	ALOGPS
pKa (Strongest Acidic)	3.32	ChemAxon
pKa (Strongest Basic)	-2.6	ChemAxon
Physiological Charge	-1	ChemAxon
Hydrogen Acceptor Count	5	ChemAxon
Hydrogen Donor Count	2	ChemAxon
Polar Surface Area	87.07 Å²	ChemAxon
Rotatable Bond Count	2	ChemAxon
Refractivity	44.25 m³·mol⁻¹	ChemAxon
Polarizability	18.13 Å³	ChemAxon
Number of Rings	2	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	Yes	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

Predicted Chromatographic Properties

Predicted Collision Cross Sections

Predictor	Adduct Type	CCS Value (Å²)	Reference
DarkChem	[M+H]+	143.979	31661259
DarkChem	[M-H]-	138.516	31661259
DeepCCS	[M-2H]-	173.178	30932474
DeepCCS	[M+Na]+	147.833	30932474
AllCCS	[M+H]+	142.6	32859911
AllCCS	[M+H-H2O]+	138.6	32859911
AllCCS	[M+NH4]+	146.4	32859911
AllCCS	[M+Na]+	147.4	32859911
AllCCS	[M-H]-	139.9	32859911
AllCCS	[M+Na-2H]-	140.2	32859911
AllCCS	[M+HCOO]-	140.5	32859911

Predicted Kovats Retention Indices

Underivatized

Metabolite	SMILES	Kovats RI Value	Column Type	Reference
Clavulanate	[H][C@@]12CC(=O)N1[C@@H](C(O)=O)\C(O2)=C\CO	3224.5	Standard polar	33892256
Clavulanate	[H][C@@]12CC(=O)N1[C@@H](C(O)=O)\C(O2)=C\CO	1849.7	Standard non polar	33892256
Clavulanate	[H][C@@]12CC(=O)N1[C@@H](C(O)=O)\C(O2)=C\CO	1901.8	Semi standard non polar	33892256

Derivatized

Derivative Name / Structure	SMILES	Kovats RI Value	Column Type	Reference
Clavulanate,1TMS,isomer #1	C[Si](C)(C)OC(=O)[C@H]1/C(=C/CO)O[C@@H]2CC(=O)N21	1868.8	Semi standard non polar	33892256
Clavulanate,1TMS,isomer #2	C[Si](C)(C)OC/C=C1\O[C@@H]2CC(=O)N2[C@H]1C(=O)O	1914.2	Semi standard non polar	33892256
Clavulanate,2TMS,isomer #1	C[Si](C)(C)OC/C=C1\O[C@@H]2CC(=O)N2[C@H]1C(=O)O[Si](C)(C)C	1935.8	Semi standard non polar	33892256
Clavulanate,1TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC(=O)[C@H]1/C(=C/CO)O[C@@H]2CC(=O)N21	2097.6	Semi standard non polar	33892256
Clavulanate,1TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC/C=C1\O[C@@H]2CC(=O)N2[C@H]1C(=O)O	2153.5	Semi standard non polar	33892256
Clavulanate,2TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC/C=C1\O[C@@H]2CC(=O)N2[C@H]1C(=O)O[Si](C)(C)C(C)(C)C	2370.9	Semi standard non polar	33892256

Spectra

GC-MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Predicted GC-MS	Predicted GC-MS Spectrum - Clavulanate GC-MS (Non-derivatized) - 70eV, Positive	splash10-0006-9600000000-6fdd26b47c56a74e9833	2017-09-01	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Clavulanate GC-MS (2 TMS) - 70eV, Positive	splash10-0fdo-9332000000-43d295827ceaa5d9eb8a	2017-10-06	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Clavulanate GC-MS (Non-derivatized) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum

MS/MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Clavulanate 10V, Positive-QTOF	splash10-0f89-1950000000-d5686d38b594be5d2075	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Clavulanate 20V, Positive-QTOF	splash10-0f89-0910000000-f0aa4be27dc58b289a46	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Clavulanate 40V, Positive-QTOF	splash10-00di-9000000000-c2baab863dddf5c7700c	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Clavulanate 10V, Negative-QTOF	splash10-0udj-2900000000-8ae04a4401d4027a239f	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Clavulanate 20V, Negative-QTOF	splash10-0fk9-3900000000-d2ecee5934bb69d2c571	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Clavulanate 40V, Negative-QTOF	splash10-03di-5900000000-f87d4c4d0c435b47a1a1	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Clavulanate 10V, Positive-QTOF	splash10-0udi-0390000000-daf29ac93fc88782f4e2	2021-10-11	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Clavulanate 20V, Positive-QTOF	splash10-0umr-2900000000-b620a2bdca1474938927	2021-10-11	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Clavulanate 40V, Positive-QTOF	splash10-006x-9700000000-12eecdbc970384d5c4e1	2021-10-11	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Clavulanate 10V, Negative-QTOF	splash10-0uka-0900000000-9a7387dd008ab82f8039	2021-10-11	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Clavulanate 20V, Negative-QTOF	splash10-01w0-2900000000-32e74f2ada87a1118cad	2021-10-11	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Clavulanate 40V, Negative-QTOF	splash10-0006-9400000000-ff80ae29ba99ef876d41	2021-10-11	Wishart Lab	View Spectrum

NMR Spectra

Spectrum Type	Description	Deposition Date	Source	View
Predicted 1D NMR	¹H NMR Spectrum (1D, 100 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 100 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 200 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 200 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 300 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 300 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 400 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 400 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 500 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 500 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 600 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 600 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 700 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 700 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 800 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 800 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 900 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 900 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum

IR Spectra

Spectrum Type	Description	Deposition Date	Source	View
Predicted IR Spectrum	IR Ion Spectrum (Predicted IRIS Spectrum, Adduct: [M-H]-)	2023-02-03	FELIX lab	View Spectrum
Predicted IR Spectrum	IR Ion Spectrum (Predicted IRIS Spectrum, Adduct: [M+H]+)	2023-02-03	FELIX lab	View Spectrum
Predicted IR Spectrum	IR Ion Spectrum (Predicted IRIS Spectrum, Adduct: [M+Na]+)	2023-02-03	FELIX lab	View Spectrum

Biological Properties

Cellular Locations

Not Available

Biospecimen Locations

Blood
Urine

Tissue Locations

Not Available

Pathways

Not Available

Name	SMPDB/PathBank	KEGG

Normal Concentrations

Biospecimen	Status	Value	Age	Sex	Condition	Reference	Details
Blood	Expected but not Quantified	Not Quantified	Not Available	Not Available	Taking drug identified by DrugBank entry DB00766	21059682	details
Urine	Expected but not Quantified	Not Quantified	Not Available	Not Available	Taking drug identified by DrugBank entry DB00766	21059682	details

Abnormal Concentrations

Not Available

Associated Disorders and Diseases

Disease References

None

Associated OMIM IDs

None

External Links

DrugBank ID

DB00766

Phenol Explorer Compound ID

Not Available

FooDB ID

KNApSAcK ID

Chemspider ID

KEGG Compound ID

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Clavulanic_Acid

METLIN ID

Not Available

PubChem Compound

5280980

PDB ID

J01

ChEBI ID

48947

Food Biomarker Ontology

Not Available

VMH ID

Not Available

MarkerDB ID

Not Available

Good Scents ID

Not Available

References

Synthesis Reference

Not Available

Material Safety Data Sheet (MSDS)

Not Available

General References

Not Available

Showing metabocard for Clavulanate (HMDB0014904)

MOL for HMDB0014904 (Clavulanate)

3D MOL for HMDB0014904 (Clavulanate)

3D SDF for HMDB0014904 (Clavulanate)

3D-SDF for HMDB0014904 (Clavulanate)

PDB for HMDB0014904 (Clavulanate)

3D PDB for HMDB0014904 (Clavulanate)

SMILES for HMDB0014904 (Clavulanate)

INCHI for HMDB0014904 (Clavulanate)

Structure for HMDB0014904 (Clavulanate)

3D Structure for HMDB0014904 (Clavulanate)

Predicted Collision Cross Sections

Predicted Kovats Retention Indices

Underivatized

Derivatized

GC-MS Spectra

MS/MS Spectra

NMR Spectra

IR Spectra