Human Metabolome Database Version 2.5

Showing metabocard for 4-(2-Aminophenyl)-2,4-dioxobutanoic acid (HMDB00978)

Legend: metabolite field enzyme field

Version

2.5

Creation Date

2005-11-16 15:48:42

Update Date

2010-07-08 13:58:47

Accession Number

HMDB00978

Secondary Accession Numbers

Not Available

Common Name

4-(2-Aminophenyl)-2,4-dioxobutanoic acid

Description

4-(2-Aminophenyl)-2,4-dioxobutanoic acid is a substrate for Kynurenine/alpha-aminoadipate aminotransferase mitochondrial.

Synonyms

4-(2-aminophenyl)-2,4-dioxobutanoate
4-(2-aminophenyl)-2,4-dioxo-butanoate
4-(2-aminophenyl)-2,4-dioxobutanoic acid
4-(2-aminophenyl)-2,4-dioxo-butanoic acid

Chemical IUPAC Name

4-(2-aminophenyl)-2,4-dioxobutanoic acid

Chemical Formula

C₁₀H₉NO₄

Chemical Structure

Chemical Taxonomy

Kingdom
Organic
Super Class
Amino acids and Amino Acid conjugates
Class
Amino Acids Keto-Acids Amino Ketones
Sub Class
NA
Family
Mammalian Metabolite
Species
ketone primary amine primary aromatic amine carboxylic acid aromatic compound
Biofunction
Protein synthesis, amino acid biosynthesis
Application
—
Source
Endogenous

Average Molecular Weight

207.183

Monoisotopic Molecular Weight

207.053162

Isomeric SMILES

NC1=C(C=CC=C1)C(=O)CC(=O)C(O)=O

Canonical SMILES

NC1=C(C=CC=C1)C(=O)CC(=O)C(O)=O

KEGG Compound ID

C01252

BioCyc ID

CPD-476

BiGG ID

37199

Wikipedia Link

Not Available

NuGOwiki Link

Metagene Link

METLIN ID

PubChem Compound

PubChem Substance

ChEBI ID

CAS Registry Number

Not Available

InChI Identifier

InChI=1/C10H9NO4/c11-7-4-2-1-3-6(7)8(12)5-9(13)10(14)15/h1-4H,5,11H2,(H,14,15)

Synthesis Reference

Not Available

Melting Point (Experimental)

Not Available

Experimental Water Solubility

Not Available Source: PhysProp

Predicted Water Solubility

0.562 mg/mL [Predicted by ALOGPS] Calculated using ALOGPS

Physiological Charge

-1

State

Solid

Experimental LogP/Hydrophobicity

Not Available Source: PhysProp

Predicted LogP/Hydrophobicity

0.9 [Predicted by PubChem via XLOGP]; 0.91 [Predicted by ALOGPS] Calculated using ALOGPS

Material Safety Data Sheet (MSDS)

Not Available

MOL File

Show

SDF File

Show

PDB File

Show

2D Structure

3D Structure

Experimental PDB ID

Not Available

Experimental ¹H NMR Spectrum

Not Available

Experimental ¹³C NMR Spectrum

Not Available

Experimental ¹³C HSQC Spectrum

Not Available

Predicted ¹H NMR Spectrum

Show Image
Show Peaklist

Predicted ¹³C NMR Spectrum

Show Image
Show Peaklist

Mass Spectrum

Not Available

Simplified TOCSY Spectrum

Not Available

BMRB Spectrum

Not Available

Cellular Location

Cytoplasm

Biofluid Location

Not Available

Tissue Location

Not Available

Concentrations (Normal)

Not Available

Concentrations (Abnormal)

Not Available

Associated Disorders

Not Available

OMIM ID

Not Available

Pathways

Name	SMPDB Link	KEGG Link
Tryptophan Metabolism	SMP00063	map00380

General References

Not Available

Metabolic Enzymes

Hypothetical protein AADAT

Enzyme 1 [top]

Enzyme 1 ID

8585

Enzyme 1 Name

Hypothetical protein AADAT

Enzyme 1 Synonyms

Not Available

Enzyme 1 Gene Name

AADAT

Enzyme 1 Protein Sequence

>Hypothetical protein AADAT

MNYARFITAASAARNPSPIRTMTDILSRGPKSMISLAGGLPNPNMFPFKTAVITVENGKT
IQFGEEMMKRALQYSPSAGIPELLSWLKQLQIKLHNPPTIHYPPSQGQMDLCVTSGSQQG
LCKVFEMIINPGDNVLLDEPAYSGTLQSLHPLGCNIINVASDESGIVPDSLRDILSRWKP
EDAKNPQKNTPKFLYTVPNGNNPTGNSLTSERKKEIYELARKYDFLIIEDDPYYFLQFNK
FRVPTFLSMDVDGRVIRADSFSKIISSGLRIGFLTGPKPLIERVILHIQVSTLHPSTFNQ
LMISQLLHEWGEEGFMAHVDRVIDFYSNQKDAILAAADKWLTGLAEWHVPAAGMFLWIKV
KGINDVKELIEEKAVKMGVLMLPGNAFYVDSSAPSPYLRASFSSASPEQMDVAFQVLAQL
IKESL

Enzyme 1 Number of Residues

425

Enzyme 1 Molecular Weight

47352

Enzyme 1 Theoretical pI

6.96

Enzyme 1 GO Classification

Function
catalytic activity transferase activity transferase activity, transferring nitrogenous groups
Process
biosynthesis metabolism physiological process
Component
—

Enzyme 1 General Function

Transcription

Enzyme 1 Specific Function

Not Available

Enzyme 1 Pathways

Not Available

Enzyme 1 Reactions

Not Available

Enzyme 1 Pfam Domain Function

Aminotran_1_2 (PF00155 )

Enzyme 1 Signals

Not Available

Enzyme 1 Transmembrane Regions

Not Available

Enzyme 1 Essentiality

Not Available

Enzyme 1 GenBank ID Protein

63995204

Enzyme 1 UniProtKB/Swiss-Prot ID

Q4W5N8

Enzyme 1 UniProtKB/Swiss-Prot Entry Name

Q4W5N8_HUMAN Link Image

Enzyme 1 PDB ID

Not Available

Enzyme 1 Cellular Location

Not Available

Enzyme 1 Gene Sequence

>1278 bp

ATGAATTACGCACGGTTCATCACGGCAGCGAGCGCAGCCAGAAACCCTTCTCCCATCCGG
ACCATGACTGACATATTGAGCAGAGGACCAAAATCGATGATCTCCTTGGCTGGTGGCTTA
CCAAATCCAAACATGTTTCCTTTTAAGACTGCCGTAATCACTGTAGAAAATGGAAAGACC
ATCCAATTTGGAGAAGAGATGATGAAGAGAGCACTTCAGTATTCTCCGAGTGCTGGAATT
CCAGAGCTTTTGTCCTGGCTAAAACAGTTACAAATAAAATTGCATAATCCTCCTACCATC
CATTACCCACCCAGTCAAGGACAAATGGATCTATGTGTCACATCTGGCAGCCAACAAGGT
CTTTGTAAGGTGTTTGAAATGATCATTAATCCTGGAGATAATGTCCTCCTAGATGAACCT
GCTTATTCAGGAACTCTTCAAAGTCTGCACCCACTGGGCTGCAACATTATTAATGTTGCC
AGTGATGAAAGTGGGATTGTTCCAGATTCCCTAAGAGACATACTTTCCAGATGGAAACCA
GAAGATGCAAAGAATCCCCAGAAAAACACCCCCAAATTTCTTTATACTGTTCCAAATGGC
AACAACCCTACTGGAAACTCATTAACCAGTGAACGCAAAAAGGAAATCTATGAGCTTGCA
AGAAAATATGATTTCCTCATAATAGAAGATGATCCTTACTATTTTCTCCAGTTTAACAAG
TTCAGGGTACCAACATTTCTTTCCATGGATGTTGATGGACGTGTCATCAGAGCTGACTCT
TTTTCAAAAATCATTTCCTCTGGGTTGAGAATAGGATTTTTAACTGGTCCAAAACCCTTA
ATAGAGAGAGTTATTTTACACATACAAGTTTCAACATTGCACCCCAGCACTTTTAACCAG
CTCATGATATCACAGCTTCTACACGAATGGGGAGAAGAAGGTTTCATGGCTCATGTAGAC
AGGGTTATTGATTTCTATAGTAACCAGAAGGATGCAATACTGGCAGCTGCAGACAAGTGG
TTAACTGGTTTGGCAGAATGGCATGTTCCTGCTGCTGGAATGTTTTTATGGATTAAAGTT
AAAGGCATTAATGATGTAAAAGAACTGATTGAAGAAAAGGCCGTTAAGATGGGGGTATTA
ATGCTCCCTGGAAATGCTTTCTACGTCGATAGCTCAGCTCCTAGCCCTTACTTGAGAGCA
TCCTTCTCTTCAGCTTCTCCAGAACAGATGGATGTGGCCTTCCAGGTATTAGCACAACTT
ATAAAAGAATCTTTATGA

Enzyme 1 GenBank Gene ID

AC084866

Enzyme 1 GeneCard ID

AADAT

Enzyme 1 GenAtlas ID

AADAT

Enzyme 1 HGNC ID

HGNC:17929 Link Image

Enzyme 1 Chromosome Location

Enzyme 1 Locus

4q33

Enzyme 1 SNPs