anthranilic acid (CHEBI:30754)

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CHEBI:30754 - anthranilic acid

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ChEBI Name	anthranilic acid

ChEBI ID	CHEBI:30754

Definition	An aminobenzoic acid that is benzoic acid having a single amino substituent located at position 2. It is a metabolite produced in L-tryptophan-kynurenine pathway in the central nervous system.

Stars	This entity has been manually annotated by the ChEBI Team.

Secondary ChEBI IDs	CHEBI:40980, CHEBI:2757, CHEBI:22577, CHEBI:22578

Supplier Information	eMolecules:636962, ZINC000100044649

Download	Molfile XML SDF

more structures >>

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Marvin 07261209413D

17 17 0 0 0 0 999 V2000

0.2920 0.6269 -0.0192 C 0 0 0 0 0 0 0 0 0 0 0 0

0.2920 -0.7966 -0.0787 C 0 0 0 0 0 0 0 0 0 0 0 0

-0.9205 -1.5180 -0.0277 C 0 0 0 0 0 0 0 0 0 0 0 0

-2.1502 -0.8405 0.0306 C 0 0 0 0 0 0 0 0 0 0 0 0

-2.1739 0.5625 0.0376 C 0 0 0 0 0 0 0 0 0 0 0 0

-0.9673 1.2829 0.0189 C 0 0 0 0 0 0 0 0 0 0 0 0

1.4599 1.3871 0.0144 C 0 0 0 0 0 0 0 0 0 0 0 0

2.4941 0.9702 0.5276 O 0 0 0 0 0 0 0 0 0 0 0 0

1.5234 2.5205 -0.4415 O 0 0 0 0 0 0 0 0 0 0 0 0

1.3922 -1.5113 -0.2126 N 0 0 0 0 0 0 0 0 0 0 0 0

-0.9287 -2.5419 -0.0398 H 0 0 0 0 0 0 0 0 0 0 0 0

-3.0257 -1.3677 0.0626 H 0 0 0 0 0 0 0 0 0 0 0 0

-3.0699 1.0565 0.0621 H 0 0 0 0 0 0 0 0 0 0 0 0

-1.0328 2.3046 0.0463 H 0 0 0 0 0 0 0 0 0 0 0 0

3.2252 1.4600 0.5577 H 0 0 0 0 0 0 0 0 0 0 0 0

1.3495 -2.4449 -0.2459 H 0 0 0 0 0 0 0 0 0 0 0 0

2.2235 -1.0923 -0.2925 H 0 0 0 0 0 0 0 0 0 0 0 0

8 7 1 0 0 0 0

1 7 1 0 0 0 0

9 7 2 0 0 0 0

2 1 4 0 0 0 0

6 1 4 0 0 0 0

3 2 4 0 0 0 0

10 2 1 0 0 0 0

5 6 4 0 0 0 0

4 3 4 0 0 0 0

4 5 4 0 0 0 0

3 11 1 0 0 0 0

4 12 1 0 0 0 0

5 13 1 0 0 0 0

6 14 1 0 0 0 0

8 15 1 0 0 0 0

10 16 1 0 0 0 0

10 17 1 0 0 0 0

M END): 19 ms

reading 17 atoms

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17 atoms created

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Wikipedia	License
Pitavastatin (usually as a calcium salt) is a member of the blood cholesterol lowering medication class of statins. Pitavastatin is an inhibitor of HMG-CoA reductase, the enzyme that catalyses the first step of cholesterol synthesis. It was patented in 1987 and approved for medical use in 2003. It is available in Japan, South Korea and in India. In the US, it received FDA approval in 2009. Kowa Pharmaceuticals, a subsidiary of Kowa Company, is the owner of the American patent to pitavastatin.
Read full article at Wikipedia

Formula

C7H7NO2

Net Charge

Average Mass

137.13600

Monoisotopic Mass

137.04768

InChI

InChI=1S/C7H7NO2/c8-6-4-2-1-3-5(6)7(9)10/h1-4H,8H2,(H,9,10)

InChIKey

RWZYAGGXGHYGMB-UHFFFAOYSA-N

SMILES

Nc1ccccc1C(O)=O

Metabolite of Species	Details
Homo sapiens (NCBI:txid9606)	See: PubMed

Roles Classification
Chemical Role(s):	Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Bronsted base). (via oxoacid ) Bronsted base A molecular entity capable of accepting a hydron from a donor (Bronsted acid). (via organic amino compound )

Biological Role(s):	human metabolite Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens). mouse metabolite Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).

View more via ChEBI Ontology

ChEBI Ontology
Outgoing	anthranilic acid (CHEBI:30754) has role human metabolite (CHEBI:77746) anthranilic acid (CHEBI:30754) has role mouse metabolite (CHEBI:75771) anthranilic acid (CHEBI:30754) is a aminobenzoic acid (CHEBI:22495) anthranilic acid (CHEBI:30754) is conjugate acid of anthranilate (CHEBI:16567)

Incoming	1-(2-carboxyphenylamino)-1-deoxy-D-ribulose 5-phosphate (CHEBI:29112) has functional parent anthranilic acid (CHEBI:30754) 1-azepanyl-[2-[4-(difluoromethylthio)anilino]phenyl]methanone (CHEBI:116306) has functional parent anthranilic acid (CHEBI:30754) 2-(Ethylamino)-4,5-dihydroxybenzamide (CHEBI:165205) has functional parent anthranilic acid (CHEBI:30754) 2-(oxaloamino)benzoic acid (CHEBI:44493) has functional parent anthranilic acid (CHEBI:30754) 2-[[1-oxo-3-(4-pentylphenyl)prop-2-enyl]amino]benzoic acid (CHEBI:114200) has functional parent anthranilic acid (CHEBI:30754) 2-[[3-(3,4-dimethoxyphenyl)-1-oxoprop-2-enyl]amino]benzoic acid (CHEBI:92320) has functional parent anthranilic acid (CHEBI:30754) 2-[[3-(4-methoxyphenyl)-1-oxoprop-2-enyl]amino]benzoic acid (CHEBI:105696) has functional parent anthranilic acid (CHEBI:30754) 2-amino-5-[(1-methoxy-2-methylindolizin-3-yl)carbonyl]benzoic acid (CHEBI:73307) has functional parent anthranilic acid (CHEBI:30754) 3,5-dihydroxyanthranilic acid (CHEBI:1403) has functional parent anthranilic acid (CHEBI:30754) 3-(1-carboxyvinyloxy)anthranilic acid (CHEBI:49194) has functional parent anthranilic acid (CHEBI:30754) 3-hydroxy-4-methylanthranilic acid (CHEBI:16116) has functional parent anthranilic acid (CHEBI:30754) 3-hydroxyanthranilic acid (CHEBI:15793) has functional parent anthranilic acid (CHEBI:30754) 3-methoxyanthranilic acid (CHEBI:27440) has functional parent anthranilic acid (CHEBI:30754) 4-nitroanthranilic acid (CHEBI:75335) has functional parent anthranilic acid (CHEBI:30754) 5-fluoroanthranilic acid (CHEBI:78042) has functional parent anthranilic acid (CHEBI:30754) N-(5-phospho-β-D-ribosyl)anthranilic acid (CHEBI:7091) has functional parent anthranilic acid (CHEBI:30754) N-acetylanthranilic acid (CHEBI:36555) has functional parent anthranilic acid (CHEBI:30754) N-adenylylanthranilic acid (CHEBI:17469) has functional parent anthranilic acid (CHEBI:30754) N-benzoyl-4-hydroxyanthranilic acid (CHEBI:16606) has functional parent anthranilic acid (CHEBI:30754) N-benzoyl-4-methoxyanthranilic acid (CHEBI:28609) has functional parent anthranilic acid (CHEBI:30754) N-benzoylanthranilic acid (CHEBI:50037) has functional parent anthranilic acid (CHEBI:30754) N-formylanthranilic acid (CHEBI:36575) has functional parent anthranilic acid (CHEBI:30754) N-malonylanthranilic acid (CHEBI:52430) has functional parent anthranilic acid (CHEBI:30754) N-methylanthranilic acid (CHEBI:16394) has functional parent anthranilic acid (CHEBI:30754) N-octanoylanthranilic acid (CHEBI:143902) has functional parent anthranilic acid (CHEBI:30754) S-anthraniloyl-L-cysteine (CHEBI:134405) has functional parent anthranilic acid (CHEBI:30754) ANA-12 (CHEBI:140465) has functional parent anthranilic acid (CHEBI:30754) anthraniloyl-CoA (CHEBI:15472) has functional parent anthranilic acid (CHEBI:30754) butyl anthranilate (CHEBI:86192) has functional parent anthranilic acid (CHEBI:30754) fenamic acid (CHEBI:34756) has functional parent anthranilic acid (CHEBI:30754) flufenamate (CHEBI:520819) has functional parent anthranilic acid (CHEBI:30754) flufenamic acid (CHEBI:42638) has functional parent anthranilic acid (CHEBI:30754) glafenine (CHEBI:31653) has functional parent anthranilic acid (CHEBI:30754) methyl anthranilate (CHEBI:73244) has functional parent anthranilic acid (CHEBI:30754) N1-[2-(2-pyridyl)ethyl]-2-aminobenzamide (CHEBI:183710) has functional parent anthranilic acid (CHEBI:30754) onosmin A (CHEBI:66821) has functional parent anthranilic acid (CHEBI:30754) sirtinol (CHEBI:73158) has functional parent anthranilic acid (CHEBI:30754) terreazepine (CHEBI:167044) has functional parent anthranilic acid (CHEBI:30754) tolfenamic acid (CHEBI:32243) has functional parent anthranilic acid (CHEBI:30754) tranilast (CHEBI:77572) has functional parent anthranilic acid (CHEBI:30754) anthranilate (CHEBI:16567) is conjugate base of anthranilic acid (CHEBI:30754)

IUPAC Name

2-aminobenzoic acid

Synonyms	Sources
2-Aminobenzoesäure	ChEBI
2-AMINOBENZOIC ACID	PDBeChem
2-carboxyaniline	NIST Chemistry WebBook
Anthranilic acid	KEGG COMPOUND
o-Aminobenzoesäure	ChEBI
o-Aminobenzoic acid	KEGG COMPOUND
o-aminobenzoic acid	NIST Chemistry WebBook
o-carboxyaniline	NIST Chemistry WebBook
Vitamin L1	KEGG COMPOUND

Manual Xrefs	Databases
ANTHRANILATE	MetaCyc
Anthranilic_acid	Wikipedia
BE2	PDBeChem
C00007382	KNApSAcK
C00108	KEGG COMPOUND
DB04166	DrugBank
HMDB0001123	HMDB
View more database links

Registry Numbers	Types	Sources
118-92-3	CAS Registry Number	KEGG COMPOUND
118-92-3	CAS Registry Number	ChemIDplus
118-92-3	CAS Registry Number	NIST Chemistry WebBook
3397	Gmelin Registry Number	Gmelin
471803	Reaxys Registry Number	Reaxys

Citations

Last Modified

04 August 2021

General Comment
2021-08-04	Formerly believed to be a vitamin but is now known to be non-essential in human nutrition.

CHEBI:30754 - anthranilic acid

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