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Record Information

Version

5.0

Status

Expected but not Quantified

Creation Date

2012-09-11 17:45:21 UTC

Update Date

2023-02-21 17:21:18 UTC

HMDB ID

HMDB0031769

Secondary Accession Numbers

HMDB31769

Metabolite Identification

Common Name

Carbendazim

Description

Carbendazim, also known as bavistin or kolfugo, belongs to the class of organic compounds known as 2-benzimidazolylcarbamic acid esters. These are aromatic heteropolycyclic compounds that contain a carbamic acid ester group, which is N-linked to the C2-atom of a benzimidazole moiety. Carbendazim is a secondary metabolite. Secondary metabolites are metabolically or physiologically non-essential metabolites that may serve a role as defense or signalling molecules. In some cases they are simply molecules that arise from the incomplete metabolism of other secondary metabolites. Based on a literature review a small amount of articles have been published on Carbendazim.

Structure

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


  Mrv1652307282022152D          

 14 15  0  0  0  0            999 V2000
    1.0521   -0.3641    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5666    0.2827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1617    0.0399    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1617   -0.7690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8093   -1.3359    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6473   -2.1457    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1617   -2.3884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7287   -1.8215    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5666   -1.0117    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8093    1.0117    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3238    1.6593    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5666    2.3884    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4851    1.4973    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0521    2.0642    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  9  1  0  0  0  0
  2  3  2  0  0  0  0
  2 10  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  9  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0031769

> <DATABASE_NAME>
hmdb

> <SMILES>
COC(=O)NC1=NC2=CC=CC=C2N1

> <INCHI_IDENTIFIER>
InChI=1S/C9H9N3O2/c1-14-9(13)12-8-10-6-4-2-3-5-7(6)11-8/h2-5H,1H3,(H2,10,11,12,13)

> <INCHI_KEY>
TWFZGCMQGLPBSX-UHFFFAOYSA-N

> <FORMULA>
C9H9N3O2

> <MOLECULAR_WEIGHT>
191.1867

> <EXACT_MASS>
191.069476547

> <JCHEM_ACCEPTOR_COUNT>
3

> <JCHEM_ATOM_COUNT>
23

> <JCHEM_AVERAGE_POLARIZABILITY>
19.46332015286911

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
2

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
methyl N-(1H-1,3-benzodiazol-2-yl)carbamate

> <ALOGPS_LOGP>
1.46

> <JCHEM_LOGP>
1.8007555073333332

> <ALOGPS_LOGS>
-2.37

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
13.947962791374731

> <JCHEM_PKA_STRONGEST_ACIDIC>
9.699461258315827

> <JCHEM_PKA_STRONGEST_BASIC>
4.277316683438969

> <JCHEM_POLAR_SURFACE_AREA>
67.01

> <JCHEM_REFRACTIVITY>
50.9284

> <JCHEM_ROTATABLE_BOND_COUNT>
2

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
8.25e-01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
carbendazim

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 28-JUL-20   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   28-JUL-20         0                                  
HETATM    1  N   UNK     0       1.964  -0.680   0.000  0.00  0.00           N+0
HETATM    2  C   UNK     0       1.058   0.528   0.000  0.00  0.00           C+0
HETATM    3  N   UNK     0      -0.302   0.074   0.000  0.00  0.00           N+0
HETATM    4  C   UNK     0      -0.302  -1.435   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      -1.511  -2.494   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      -1.208  -4.005   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       0.302  -4.458   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       1.360  -3.400   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       1.058  -1.889   0.000  0.00  0.00           C+0
HETATM   10  N   UNK     0       1.511   1.889   0.000  0.00  0.00           N+0
HETATM   11  C   UNK     0       0.604   3.097   0.000  0.00  0.00           C+0
HETATM   12  O   UNK     0       1.058   4.458   0.000  0.00  0.00           O+0
HETATM   13  O   UNK     0      -0.906   2.795   0.000  0.00  0.00           O+0
HETATM   14  C   UNK     0      -1.964   3.853   0.000  0.00  0.00           C+0
CONECT    1    2    9                                                       
CONECT    2    1    3   10                                                  
CONECT    3    2    4                                                       
CONECT    4    3    5    9                                                  
CONECT    5    4    6                                                       
CONECT    6    5    7                                                       
CONECT    7    6    8                                                       
CONECT    8    7    9                                                       
CONECT    9    1    4    8                                                  
CONECT   10    2   11                                                       
CONECT   11   10   12   13                                                  
CONECT   12   11                                                            
CONECT   13   11   14                                                       
CONECT   14   13                                                            
MASTER        0    0    0    0    0    0    0    0   14    0   30    0
END

View in JSmol View Stereo Labels

Synonyms

Value	Source
1H-Benzimidazol-2-ylcarbamic acid methyl ester	ChEBI
2-(Methoxy-carbonylamino)-benzimidazol	ChEBI
2-(Methoxycarbonylamino)-benzimidazole	ChEBI
2-(Methoxycarbonylamino)benzimidazole	ChEBI
2-Benzimidazolecarbamic acid methyl ester	ChEBI
BMC	ChEBI
Carbendazime	ChEBI
MBC	ChEBI
Mecarzole	ChEBI
Methyl 2-benzimidazolecarbamate	ChEBI
Methyl benzimidazol-2-ylcarbamate	ChEBI
1H-Benzimidazol-2-ylcarbamate methyl ester	Generator
2-Benzimidazolecarbamate methyl ester	Generator
Methyl 2-benzimidazolecarbamic acid	Generator
Methyl benzimidazol-2-ylcarbamic acid	Generator
1H-Benzimidazol-2-yl-carbamic acid, methyl ester	HMDB
1H-Benzimidazol-2-ylcarbamic acid, methyl ester	HMDB
1H-Benzimidazole-2-carbamic acid, methyl ester	HMDB
2-(Carbomethoxyamino)benzimidazole	HMDB
2-(Methoxycarbamoyl)benzimidazole	HMDB
2-(Methoxycarboxamido)benzimidazole	HMDB
2-Benzimidazolecarbamic acid, methyl ester	HMDB
2-Bezimidazolecarbamic acid methyl ester	HMDB
2-MBC	HMDB
2-Methyl benzimidazolecarbamate	HMDB
2-[(Methoxycarbonyl)amino]benzimidazole	HMDB
a 118 (Pesticide)	HMDB
Agrizim	HMDB
Antibac MF	HMDB
Battal	HMDB
Bavistan	HMDB
Bavistin	HMDB
Bavistin 25Sd	HMDB
Bavistin 3460	HMDB
Bavistin 50Sd	HMDB
Bavistin FL	HMDB
Bavistine	HMDB
BCM	HMDB
BCM (Fungicide)	HMDB
Bengard	HMDB
Benzimidazole carbamate de methyle	HMDB
Benzimidazole-2-carbamic acid, methyl ester	HMDB
Benzimidazolecarbamate methyl ester	HMDB
Benzimidazolecarbamic	HMDB
Bercema-bitosen	HMDB
Bitosen	HMDB
BMC?	HMDB
BMK	HMDB
BMK (Fungicide)	HMDB
Carbamic acid, 1H-benzimidazol-2-yl-, methyl ester	HMDB
Carbamic acid, 1H-benzimidazolyl-, methyl ester	HMDB
Carbamic acid, N-1H-benzimidazol-2-yl-, methyl ester	HMDB
Carben VL	HMDB
Carbendazin	HMDB
Carbendazine	HMDB
Carbendazol	HMDB
Carbendazol, jmaf	HMDB
Carbendazole	HMDB
Carbendazym	HMDB
Carbendazyme	HMDB
Custos	HMDB
Delsene	HMDB
Delsene 10	HMDB
Derosal	HMDB
Derosal 60PM	HMDB
Equitdazin	HMDB
Falicarben	HMDB
Funaben	HMDB
Funaben 3	HMDB
Funaben 50	HMDB
Fungisol	HMDB
Fungoxan	HMDB
Garbenda	HMDB
Ipo y	HMDB
Jkatein	HMDB
Jkstein	HMDB
Karben	HMDB
Karben flo stefes	HMDB
Karben stefes flo	HMDB
Kemdazin	HMDB
Kid pest project (carbendazim) (see also carbendazim)	HMDB
Kolfugo	HMDB
Kolfugo 25 FW	HMDB
Kolfugo 25FW	HMDB
Kolfugo extra	HMDB
Medamine	HMDB
Mekarzole	HMDB
Methoxybenzimidazole-2-carbamic acid	HMDB
Methyl 1H-benzimidazol-2-ylcarbamate	HMDB
Methyl 1H-benzimidazol-2-ylcarbamate (9ci)	HMDB
Methyl 1H-benzimidazol-2-ylcarbamate, 9ci	HMDB
Methyl 1H-benzimidazole-2-carbamate	HMDB
Methyl 1H-benzimidazolylcarbamate	HMDB
Methyl 2-benzimidazil carbamate	HMDB
Methyl 2-benzimidazolylcarbamate	HMDB
Methyl benzimidazolecarbamate	HMDB
Methyl benzimidazolylcarbamate	HMDB
Methyl N-2-benzimidazolecarbamate	HMDB
Methyl-2-benzimidazole carbamate	HMDB
Methyl-N-(2-benzimidazolyl)carbamate	HMDB
Methylbenzimidazole-2-ylcarbamate	HMDB
MYCO	HMDB
Olgin	HMDB
Olgin (fungicide)	HMDB
Pillarstin	HMDB
Preparation g 665	HMDB
Preventol BCM	HMDB
Protek	HMDB
Sarfun	HMDB
SPIN	HMDB
Spin (pesticide)	HMDB
Stein	HMDB
Stempor	HMDB
Subeej	HMDB
Supercarb	HMDB
Thicoper	HMDB
Triticol	HMDB
Zhiweiling	HMDB
Mecarzole mononitrate	HMDB
Mecarzole monophosphate	HMDB
Mecarzole monosulfate	HMDB
Mecarzole monohydrochloride	HMDB
Mecarzole monosodium salt	HMDB
Mecarzole monophosphinate	HMDB
Mecarzole triphosphinate	HMDB
Carbendazim phosphate	MeSH

Chemical Formula

C₉H₉N₃O₂

Average Molecular Weight

191.1867

Monoisotopic Molecular Weight

191.069476547

IUPAC Name

methyl N-(1H-1,3-benzodiazol-2-yl)carbamate

Traditional Name

carbendazim

CAS Registry Number

10605-21-7

SMILES

COC(=O)NC1=NC2=CC=CC=C2N1

InChI Identifier

InChI=1S/C9H9N3O2/c1-14-9(13)12-8-10-6-4-2-3-5-7(6)11-8/h2-5H,1H3,(H2,10,11,12,13)

InChI Key

TWFZGCMQGLPBSX-UHFFFAOYSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as 2-benzimidazolylcarbamic acid esters. These are aromatic heteropolycyclic compounds that contain a carbamic acid ester group, which is N-linked to the C2-atom of a benzimidazole moiety.

Kingdom

Organic compounds

Super Class

Organoheterocyclic compounds

Class

Benzimidazoles

Sub Class

2-benzimidazolylcarbamic acid esters

Direct Parent

2-benzimidazolylcarbamic acid esters

Alternative Parents

Substituents

2-benzimidazolylcarbamic acid ester
Benzenoid
Azole
Imidazole
Carbamic acid ester
Heteroaromatic compound
Carbonic acid derivative
Azacycle
Organic oxide
Organopnictogen compound
Organooxygen compound
Organonitrogen compound
Organic oxygen compound
Carbonyl group
Organic nitrogen compound
Hydrocarbon derivative
Aromatic heteropolycyclic compound

Molecular Framework

Aromatic heteropolycyclic compounds

External Descriptors

carbamate ester (CHEBI:3392 )
benzimidazoles (CHEBI:3392 )
benzimidazolylcarbamate fungicide (CHEBI:3392 )
benzimidazole fungicide (CHEBI:3392 )
Carbamate fungicides (C10897 )

Ontology

Physiological effect

Health effect

Nervous system disorder

Central nervous system disorder

Hydrocephalus (HMDB: HMDB0031769)

Observation

Skin irritation (HMDB: HMDB0031769)

Disposition

Biological location

Cellular substructure

Route of exposure

Parenteral

Dermal (HMDB: HMDB0031769)
Inhalation (HMDB: HMDB0031769)

Enteral

Ingestion (HMDB: HMDB0031769)

Source

Exogenous

Exogenous (HMDB: HMDB0031769)

Food

Food (HMDB: HMDB0031769)

Environmental

Wastewater (HMDB: HMDB0031769)

Endogenous

Endogenous (HMDB: HMDB0031769)

Process

Not Available

Role

Industrial application

Pharmaceutical industry

Pharmaceutical (HMDB: HMDB0031769)
Antinematodal drug (HMDB: HMDB0031769)

Agrochemical (HMDB: HMDB0031769)

Agriculture

Pesticide

Fungicide (HMDB: HMDB0031769)
Fungicide (HMDB: HMDB0031769)

Environmental role

Air pollutant (HMDB: HMDB0031769)

Physical Properties

State

Solid

Experimental Molecular Properties

Property	Value	Reference
Melting Point	302 - 307 °C	Not Available
Boiling Point	Not Available	Not Available
Water Solubility	29 mg/L @ 24C (exp)	The Good Scents Company Information System
LogP	1.52	Not Available

Experimental Chromatographic Properties

Not Available

Predicted Molecular Properties

Property	Value	Source
Water Solubility	0.82 g/L	ALOGPS
logP	1.46	ALOGPS
logP	1.8	ChemAxon
logS	-2.4	ALOGPS
pKa (Strongest Acidic)	9.7	ChemAxon
pKa (Strongest Basic)	4.28	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	3	ChemAxon
Hydrogen Donor Count	2	ChemAxon
Polar Surface Area	67.01 Å²	ChemAxon
Rotatable Bond Count	2	ChemAxon
Refractivity	50.93 m³·mol⁻¹	ChemAxon
Polarizability	19.46 Å³	ChemAxon
Number of Rings	2	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	Yes	ChemAxon
Ghose Filter	Yes	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]+	145.365	31661259
DarkChem	[M-H]-	143.902	31661259
DeepCCS	[M+H]+	135.776	30932474
DeepCCS	[M-H]-	131.949	30932474
DeepCCS	[M-2H]-	169.151	30932474
DeepCCS	[M+Na]+	144.691	30932474
AllCCS	[M+H]+	141.6	32859911
AllCCS	[M+H-H2O]+	137.4	32859911
AllCCS	[M+NH4]+	145.5	32859911
AllCCS	[M+Na]+	146.6	32859911
AllCCS	[M-H]-	141.8	32859911
AllCCS	[M+Na-2H]-	142.1	32859911
AllCCS	[M+HCOO]-	142.4	32859911

Predicted Retention Times

Underivatized

Chromatographic Method	Retention Time	Reference
Measured using a Waters Acquity ultraperformance liquid chromatography (UPLC) ethylene-bridged hybrid (BEH) C18 column (100 mm × 2.1 mm; 1.7 μmparticle diameter). Predicted by Afia on May 17, 2022. Predicted by Afia on May 17, 2022.	4.6 minutes	32390414
Predicted by Siyang on May 30, 2022	9.6088 minutes	33406817
Predicted by Siyang using ReTip algorithm on June 8, 2022	1.57 minutes	32390414
AjsUoB = Accucore 150 Amide HILIC with 10mM Ammonium Formate, 0.1% Formic Acid	41.0 seconds	40023050
Fem_Long = Waters ACQUITY UPLC HSS T3 C18 with Water:MeOH and 0.1% Formic Acid	1534.8 seconds	40023050
Fem_Lipids = Ascentis Express C18 with (60:40 water:ACN):(90:10 IPA:ACN) and 10mM NH4COOH + 0.1% Formic Acid	276.8 seconds	40023050
Life_Old = Waters ACQUITY UPLC BEH C18 with Water:(20:80 acetone:ACN) and 0.1% Formic Acid	92.3 seconds	40023050
Life_New = RP Waters ACQUITY UPLC HSS T3 C18 with Water:(30:70 MeOH:ACN) and 0.1% Formic Acid	172.4 seconds	40023050
RIKEN = Waters ACQUITY UPLC BEH C18 with Water:ACN and 0.1% Formic Acid	83.8 seconds	40023050
Eawag_XBridgeC18 = XBridge C18 3.5u 2.1x50 mm with Water:MeOH and 0.1% Formic Acid	400.7 seconds	40023050
BfG_NTS_RP1 =Agilent Zorbax Eclipse Plus C18 (2.1 mm x 150 mm, 3.5 um) with Water:ACN and 0.1% Formic Acid	359.1 seconds	40023050
HILIC_BDD_2 = Merck SeQuant ZIC-HILIC with ACN(0.1% formic acid):water(16 mM ammonium formate)	384.4 seconds	40023050
UniToyama_Atlantis = RP Waters Atlantis T3 (2.1 x 150 mm, 5 um) with ACN:Water and 0.1% Formic Acid	705.3 seconds	40023050
BDD_C18 = Hypersil Gold 1.9µm C18 with Water:ACN and 0.1% Formic Acid	305.7 seconds	40023050
UFZ_Phenomenex = Kinetex Core-Shell C18 2.6 um, 3.0 x 100 mm, Phenomenex with Water:MeOH and 0.1% Formic Acid	917.6 seconds	40023050
SNU_RIKEN_POS = Waters ACQUITY UPLC BEH C18 with Water:ACN and 0.1% Formic Acid	207.7 seconds	40023050
RPMMFDA = Waters ACQUITY UPLC BEH C18 with Water:ACN and 0.1% Formic Acid	227.6 seconds	40023050
MTBLS87 = Merck SeQuant ZIC-pHILIC column with ACN:Water and :ammonium carbonate	375.9 seconds	40023050
KI_GIAR_zic_HILIC_pH2_7 = Merck SeQuant ZIC-HILIC with ACN:Water and 0.1% FA	195.9 seconds	40023050
Meister zic-pHILIC pH9.3 = Merck SeQuant ZIC-pHILIC column with ACN:Water 5mM NH4Ac pH9.3 and 5mM ammonium acetate in water	145.4 seconds	40023050

Predicted Kovats Retention Indices

Underivatized

Metabolite	SMILES	Kovats RI Value	Column Type	Reference
Carbendazim	COC(=O)NC1=NC2=CC=CC=C2N1	2756.2	Standard polar	33892256
Carbendazim	COC(=O)NC1=NC2=CC=CC=C2N1	1756.4	Standard non polar	33892256
Carbendazim	COC(=O)NC1=NC2=CC=CC=C2N1	2015.6	Semi standard non polar	33892256

Derivatized

Derivative Name / Structure	SMILES	Kovats RI Value	Column Type	Reference
Carbendazim,1TMS,isomer #1	COC(=O)N(C1=NC2=CC=CC=C2[NH]1)[Si](C)(C)C	1852.8	Semi standard non polar	33892256
Carbendazim,1TMS,isomer #1	COC(=O)N(C1=NC2=CC=CC=C2[NH]1)[Si](C)(C)C	1823.7	Standard non polar	33892256
Carbendazim,1TMS,isomer #2	COC(=O)NC1=NC2=CC=CC=C2N1[Si](C)(C)C	1952.8	Semi standard non polar	33892256
Carbendazim,1TMS,isomer #2	COC(=O)NC1=NC2=CC=CC=C2N1[Si](C)(C)C	1888.0	Standard non polar	33892256
Carbendazim,2TMS,isomer #1	COC(=O)N(C1=NC2=CC=CC=C2N1[Si](C)(C)C)[Si](C)(C)C	1986.7	Semi standard non polar	33892256
Carbendazim,2TMS,isomer #1	COC(=O)N(C1=NC2=CC=CC=C2N1[Si](C)(C)C)[Si](C)(C)C	1912.0	Standard non polar	33892256
Carbendazim,1TBDMS,isomer #1	COC(=O)N(C1=NC2=CC=CC=C2[NH]1)[Si](C)(C)C(C)(C)C	2110.8	Semi standard non polar	33892256
Carbendazim,1TBDMS,isomer #1	COC(=O)N(C1=NC2=CC=CC=C2[NH]1)[Si](C)(C)C(C)(C)C	2021.7	Standard non polar	33892256
Carbendazim,1TBDMS,isomer #2	COC(=O)NC1=NC2=CC=CC=C2N1[Si](C)(C)C(C)(C)C	2151.5	Semi standard non polar	33892256
Carbendazim,1TBDMS,isomer #2	COC(=O)NC1=NC2=CC=CC=C2N1[Si](C)(C)C(C)(C)C	2085.1	Standard non polar	33892256
Carbendazim,2TBDMS,isomer #1	COC(=O)N(C1=NC2=CC=CC=C2N1[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2334.5	Semi standard non polar	33892256
Carbendazim,2TBDMS,isomer #1	COC(=O)N(C1=NC2=CC=CC=C2N1[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2301.8	Standard non polar	33892256

Spectra

Biological Properties

Cellular Locations

Cytoplasm
Extracellular

Biospecimen Locations

Not Available

Tissue Locations

Not Available

Pathways

Not Available

Name	SMPDB/PathBank	KEGG

Normal Concentrations

Not Available

Abnormal Concentrations

Not Available

Associated Disorders and Diseases

Disease References

None

Associated OMIM IDs

None

External Links

DrugBank ID

DB13009

Phenol Explorer Compound ID

Not Available

FooDB ID

FDB008442

KNApSAcK ID

Not Available

Chemspider ID

23741

KEGG Compound ID

C10897

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Carbendazim

METLIN ID

Not Available

PubChem Compound

25429

PDB ID

Not Available

ChEBI ID

3392

Food Biomarker Ontology

Not Available

VMH ID

Not Available

MarkerDB ID

Not Available

Good Scents ID

rw1227191

References

Synthesis Reference

Not Available

Material Safety Data Sheet (MSDS)

Not Available

General References

Narayana KJ, Prabhakar P, Vijayalakshmi M, Venkateswarlu Y, Krishna PS: Biological activity of phenylpropionic acid isolated from a terrestrial Streptomycetes. Pol J Microbiol. 2007;56(3):191-7. [PubMed:18062653 ]
(). Yannai, Shmuel. (2004) Dictionary of food compounds with CD-ROM: Additives, flavors, and ingredients. Boca Raton: Chapman & Hall/CRC.. .

Showing metabocard for Carbendazim (HMDB0031769)

MOL for HMDB0031769 (Carbendazim)

3D MOL for HMDB0031769 (Carbendazim)

3D SDF for HMDB0031769 (Carbendazim)

3D-SDF for HMDB0031769 (Carbendazim)

PDB for HMDB0031769 (Carbendazim)

3D PDB for HMDB0031769 (Carbendazim)

SMILES for HMDB0031769 (Carbendazim)

INCHI for HMDB0031769 (Carbendazim)

Structure for HMDB0031769 (Carbendazim)

3D Structure for HMDB0031769 (Carbendazim)

Predicted Collision Cross Sections

Predicted Retention Times

Underivatized

Predicted Kovats Retention Indices

Underivatized

Derivatized