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Human Metabolome Database Version 2.5

 

Showing metabocard for N'-Formylkynurenine (HMDB01200)

Legend: metabolite field enzyme field

Version 2.5
Creation Date 2005-11-16 15:48:42
Update Date 2010-04-26 12:38:39
Accession Number HMDB01200
Secondary Accession Numbers Not Available
Common Name N'-Formylkynurenine
Description Plays an especially improtant role in photobiological responses. The excited states of N-formylkynurenine react to produce hydroxyl radicals.
Synonyms
  1. 3-(N-formylanthraniloyl)-Alanine
  2. Formylkynurenine
  3. N'-Formylkynurenine
  4. N'-formyl-Kynurenine
  5. N-Formyl-L-kynurenine
  6. alpha-amino-2-(formylamino)-gamma-oxo-Benzenebutanoate
  7. alpha-amino-2-(formylamino)-gamma-oxo-Benzenebutanoic acid
  8. N-formyl-D-kynurenine
  9. N-formyl-delta-kynurenine
Chemical IUPAC Name 2-amino-4-(2-formamidophenyl)-4-oxo-butanoic acid
Chemical Formula C11H12N2O4
Chemical Structure Structure
Chemical Taxonomy
Kingdom
  • Organic
Super Class
  • Amino acids and Amino Acid conjugates
Class
  • Amino Acids
  • Amino Ketones
Sub Class
  • NA
Family
  • Mammalian Metabolite
Species
  • ketone
  • primary amine
  • primary aliphatic amine (alkylamine)
  • carboxylic acid
  • secondary carboxylic acid amide
  • aromatic compound
  • alpha-aminoacid
Biofunction
  • Component of Tryptophan metabolism
Application
—
Source
  • Endogenous
Average Molecular Weight 236.224
Monoisotopic Molecular Weight 236.079712
Isomeric SMILES NC(CC(=O)C1=CC=CC=C1NC=O)C(O)=O
Canonical SMILES NC(CC(=O)C1=CC=CC=C1NC=O)C(O)=O
KEGG Compound ID C02406 Link Image
BioCyc ID N-FORMYLKYNURENINE Link Image
BiGG ID 1445551 Link Image
Wikipedia Link N'-Formylkynurenine Link Image
NuGOwiki Link HMDB01200 Link Image
Metagene Link HMDB01200 Link Image
METLIN ID Not Available
PubChem Compound 910 Link Image
PubChem Substance 710919 Link Image
ChEBI ID 18377 Link Image
CAS Registry Number 1022-31-7
InChI Identifier InChI=1/C11H12N2O4/c12-8(11(16)17)5-10(15)7-3-1-2-4-9(7)13-6-14/h1-4,6,8H,5,12H2,(H,13,14)(H,16,17)
Synthesis Reference Jayson, G. G.; Scholes, G.; Weiss, J. Formation of formylkynurenine by the action of x-rays on tryptophan in aqueous solution. Biochemical Journal (1954), 57 386-90.
Melting Point (Experimental) Not Available
Experimental Water Solubility Not Available Source: PhysProp
Predicted Water Solubility 1.05 mg/mL [Predicted by ALOGPS] Calculated using ALOGPS
Physiological Charge 0
State Solid
Experimental LogP/Hydrophobicity Not Available Source: PhysProp
Predicted LogP/Hydrophobicity -1.85 [Predicted by ALOGPS]; -2.3 [Predicted by PubChem via XLOGP] 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 (Predicted from LogP)
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 Link Image map00380 Link Image
General References
  1. Wong PW, Forman P, Tabahoff B, Justice P: A defect in tryptophan metabolism. Pediatr Res. 1976 Aug;10(8):725-30. [PubMed Link Image]
  2. Wikipedia Link Image
Metabolic Enzymes
  1. Probable arylformamidase
  2. Indoleamine 2,3-dioxygenase-like protein 1
  3. cDNA FLJ75236, highly similar to Human tryptophan oxygenase
  4. Kynureninase
Enzyme 1 [top]
Enzyme 1 ID 13059
Enzyme 1 Name Probable arylformamidase
Enzyme 1 Synonyms
  1. Kynurenine formamidase
  2. KF
Enzyme 1 Gene Name AFMID
Enzyme 1 Protein Sequence >Probable arylformamidase 
MMDVSGVGFPSKVPWKKMSAEELENQYCPSRWVVRLGAEEALRTYSQIGIEATTRARATR
KSLLHVPYGDGEGEKVDIYFPDESSEALPFFLFFHGGYWQSGSKDESAFMVHPLTAQGVA
VVIVAYGIAPKGTLDHMVDQVTRSVAFVQKRYPSNKGIYLCGHSAGAHLAAMMLLADWTK
HGVTPNLRGFFLVSGVFDLEPIVYTSQNVALQLTLEDAQRNNPQLKVAQAQPVDPTCRVL
VVVGQFDSPEFHRQSWEFYQVLPVQTLCQGEWKASFEELHDVDHFEIVENLTQKDNVLTQ
IILKTIFQ
Enzyme 1 Number of Residues 308
Enzyme 1 Molecular Weight 34556
Enzyme 1 Theoretical pI 5.78
Enzyme 1 GO Classification Not Available
Enzyme 1 General Function Lipid transport and metabolism
Enzyme 1 Specific Function Catalyzes the hydrolysis of N-formyl-L-kynurenine to L- kynurenine, the second step in the conversion of tryptophan to nicotinic acid, NAD(H) and NADP(H). Required for elimination of toxic metabolites
Enzyme 1 Pathways
Enzyme 1 Reactions
  • N-formyl-L-kynurenine + H2O = formate + L-kynurenine [RN:R01959] ALL_REAC R01959
  • (other) R00988 R04911
Enzyme 1 Pfam Domain Function Not Available
Enzyme 1 Signals
  • None
Enzyme 1 Transmembrane Regions
  • None
Enzyme 1 Essentiality Not Available
Enzyme 1 GenBank ID Protein 52545961 Link Image
Enzyme 1 UniProtKB/Swiss-Prot ID Q63HM1 Link Image
Enzyme 1 UniProtKB/Swiss-Prot Entry Name AFMID_HUMAN Link Image
Enzyme 1 PDB ID Not Available
Enzyme 1 Cellular Location Not Available
Enzyme 1 Gene Sequence Not Available
Enzyme 1 GenBank Gene ID BX648442 Link Image
Enzyme 1 GeneCard ID Q63HM1 Link Image
Enzyme 1 GenAtlas ID AFMID Link Image
Enzyme 1 HGNC ID HGNC:20910 Link Image
Enzyme 1 Chromosome Location Not Available
Enzyme 1 Locus Not Available
Enzyme 1 SNPs SNPJam Report Link Image
Enzyme 1 General References Not Available
Enzyme 1 Metabolite References Not Available
Enzyme 2 [top]
Enzyme 2 ID 13115
Enzyme 2 Name Indoleamine 2,3-dioxygenase-like protein 1
Enzyme 2 Synonyms
  1. Indoleamine-pyrrole 2,3-dioxygenase-like protein 1
Enzyme 2 Gene Name INDOL1
Enzyme 2 Protein Sequence >Indoleamine 2,3-dioxygenase-like protein 1 
MEPHRPNVKTAVPLSLESYHISEEYGFLLPDSLKELPDHYRPWMEIANKLPQLIDAHQLQ
AHVDKMPLLSCQFLKGHREQRLAHLVLSFLTMGYVWQEGEAQPAEVLPRNLALPFVEVSR
NLGLPPILVHSDLVLTNWTKKDPDGNLETIISFPGGESLHGFILVTALVEKEAVPGIKAL
VQATNAILQPNQEALLQALQRLRLSIQDITKTLGQMHDYVDPDIFYAGIRIFLSGWKDNP
AMPAGLMYEGVSQEPLKYSGGSAAQSTVLHAFDEFLGIRHSKESGDFLYRMRDYMPPSHK
AFIEDIHSAPSLRDYILSSGQDHLLTAYNQCVQALAELRSYHITMVTKYLITAAAKAKHG
KPNHLPGPPQALKDRGTGGTAVMSFLKSVRDKTLESILHPRG
Enzyme 2 Number of Residues 402
Enzyme 2 Molecular Weight 44865
Enzyme 2 Theoretical pI 6.94
Enzyme 2 GO Classification
Function
  • binding
  • heme binding
  • tetrapyrrole binding
Process
—
Component
—
Enzyme 2 General Function Not Available
Enzyme 2 Specific Function Not Available
Enzyme 2 Pathways Not Available
Enzyme 2 Reactions Not Available
Enzyme 2 Pfam Domain Function
Enzyme 2 Signals
  • None
Enzyme 2 Transmembrane Regions
  • None
Enzyme 2 Essentiality Not Available
Enzyme 2 GenBank ID Protein 34536196 Link Image
Enzyme 2 UniProtKB/Swiss-Prot ID Q6ZQW0 Link Image
Enzyme 2 UniProtKB/Swiss-Prot Entry Name I23OL_HUMAN Link Image
Enzyme 2 PDB ID Not Available
Enzyme 2 Cellular Location Not Available
Enzyme 2 Gene Sequence Not Available
Enzyme 2 GenBank Gene ID AK128691 Link Image
Enzyme 2 GeneCard ID Q6ZQW0 Link Image
Enzyme 2 GenAtlas ID INDOL1 Link Image
Enzyme 2 HGNC ID HGNC:27269 Link Image
Enzyme 2 Chromosome Location Not Available
Enzyme 2 Locus Not Available
Enzyme 2 SNPs SNPJam Report Link Image
Enzyme 2 General References Not Available
Enzyme 2 Metabolite References Not Available
Enzyme 3 [top]
Enzyme 3 ID 13117
Enzyme 3 Name cDNA FLJ75236, highly similar to Human tryptophan oxygenase
Enzyme 3 Synonyms
  1. TDOmRNA
  2. Tryptophan 2,3-dioxygenase, isoform CRA_b
Enzyme 3 Gene Name TDO2
Enzyme 3 Protein Sequence >cDNA FLJ75236, highly similar to Human tryptophan oxygenase 
MSGCPFLGNNFGYTFKKLPVEGSEEDKSQTGVNRASKGGLIYGNYLHLEKVLNAQELQSE
TKGNKIHDEHLFIITHQAYELWFKQILWELDSVREIFQNGHVRDERNMLKVVSRMHRVSV
ILKLLVQQFSILETMTALDFNDFREYLSPASGFQSLQFRLLENKIGVLQNMRVPYNRRHY
RDNFKGEENELLLKSEQEKTLLELVEAWLERTPGLEPHGFNFWGKLEKNITRGLEEEFIR
IQAKEESEEKEEQVAEFQKQKEVLLSLFDEKRHEHLLSKGERRLSYRALQGALMIYFYRE
EPRFQVPFQLLTSLMDIDSLMTKWRYNHVCMVHRMLGSKAGTGGSSGYHYLRSTVSDRYK
VFVDLFNLSTYLIPRHWIPKMNPTIHKFLYTAEYCDSSYFSSDESD
Enzyme 3 Number of Residues 406
Enzyme 3 Molecular Weight 47872
Enzyme 3 Theoretical pI 6.93
Enzyme 3 GO Classification Not Available
Enzyme 3 General Function Amino acid transport and metabolism
Enzyme 3 Specific Function Not Available
Enzyme 3 Pathways Not Available
Enzyme 3 Reactions Not Available
Enzyme 3 Pfam Domain Function Not Available
Enzyme 3 Signals
  • None
Enzyme 3 Transmembrane Regions
  • None
Enzyme 3 Essentiality Not Available
Enzyme 3 GenBank ID Protein 158259859 Link Image
Enzyme 3 UniProtKB/Swiss-Prot ID A8K053 Link Image
Enzyme 3 UniProtKB/Swiss-Prot Entry Name A8K053_HUMAN Link Image
Enzyme 3 PDB ID Not Available
Enzyme 3 Cellular Location Not Available
Enzyme 3 Gene Sequence Not Available
Enzyme 3 GenBank Gene ID AK289418 Link Image
Enzyme 3 GeneCard ID A8K053 Link Image
Enzyme 3 GenAtlas ID Not Available
Enzyme 3 HGNC ID Not Available
Enzyme 3 Chromosome Location Not Available
Enzyme 3 Locus Not Available
Enzyme 3 SNPs SNPJam Report Link Image
Enzyme 3 General References Not Available
Enzyme 3 Metabolite References Not Available
Enzyme 4 [top]
Enzyme 4 ID 13118
Enzyme 4 Name Kynureninase
Enzyme 4 Synonyms
  1. L-kynurenine hydrolase
  2. Kynureninase
  3. L-kynurenine hydrolase, isoform CRA_a
Enzyme 4 Gene Name KYNU
Enzyme 4 Protein Sequence >Kynureninase 
MEPSSLELPADTVQRIAAELKCHPTDERVALHLDEEDKLRHFRECFYIPKIQDLPPVDLS
LVNKDENAIYFLGNSLGLQPKMVKTYLEEELDKWAKIAAYGHEVGKRPWITGDESIVGLM
KDIVGANEKEIALMNALTVNLHLLMLSFFKPTPKRYKILLEAKAFPSDHYAIESQLQLHG
LNIEESMRMIKPREGEETLRIEDILEVIEKEGDSIAVILFSGVHFYTGQHFNIPAITKAG
QAKGCYVGFDLAHAVGNVELYLHDWGVDFACWCSYKYLNAGAGGIAGAFIHEKHAHTIKP
ARSEFFN
Enzyme 4 Number of Residues 307
Enzyme 4 Molecular Weight 34635
Enzyme 4 Theoretical pI 5.71
Enzyme 4 GO Classification
Function
  • binding
  • catalytic activity
  • hydrolase activity
  • hydrolase activity, acting on acid carbon-carbon bonds
  • hydrolase activity, acting on acid carbon-carbon bonds, in ketonic substances
  • kynureninase activity
  • pyridoxal phosphate binding
  • vitamin binding
Process
  • NAD biosynthesis
  • amino acid and derivative metabolism
  • amino acid derivative metabolism
  • biogenic amine metabolism
  • cellular metabolism
  • coenzyme biosynthesis
  • coenzyme metabolism
  • cofactor metabolism
  • indolalkylamine metabolism
  • metabolism
  • physiological process
  • pyridine nucleotide biosynthesis
  • tryptophan catabolism
  • tryptophan metabolism
Component
  • cell
  • cytoplasm
  • intracellular
Enzyme 4 General Function Amino acid transport and metabolism
Enzyme 4 Specific Function Not Available
Enzyme 4 Pathways Not Available
Enzyme 4 Reactions Not Available
Enzyme 4 Pfam Domain Function Not Available
Enzyme 4 Signals
  • None
Enzyme 4 Transmembrane Regions
  • None
Enzyme 4 Essentiality Not Available
Enzyme 4 GenBank ID Protein 12654129 Link Image
Enzyme 4 UniProtKB/Swiss-Prot ID Q9BVW3 Link Image
Enzyme 4 UniProtKB/Swiss-Prot Entry Name Q9BVW3_HUMAN Link Image
Enzyme 4 PDB ID Not Available
Enzyme 4 Cellular Location Not Available
Enzyme 4 Gene Sequence Not Available
Enzyme 4 GenBank Gene ID BC000879 Link Image
Enzyme 4 GeneCard ID Q9BVW3 Link Image
Enzyme 4 GenAtlas ID KYNU Link Image
Enzyme 4 HGNC ID HGNC:6469 Link Image
Enzyme 4 Chromosome Location Not Available
Enzyme 4 Locus Not Available
Enzyme 4 SNPs SNPJam Report Link Image
Enzyme 4 General References
  1. Strausberg RL, Feingold EA, Grouse LH, Derge JG, Klausner RD, Collins FS, Wagner L, Shenmen CM, Schuler GD, Altschul SF, Zeeberg B, Buetow KH, Schaefer CF, Bhat NK, Hopkins RF, Jordan H, Moore T, Max SI, Wang J, Hsieh F, Diatchenko L, Marusina K, Farmer AA, Rubin GM, Hong L, Stapleton M, Soares MB, Bonaldo MF, Casavant TL, Scheetz TE, Brownstein MJ, Usdin TB, Toshiyuki S, Carninci P, Prange C, Raha SS, Loquellano NA, Peters GJ, Abramson RD, Mullahy SJ, Bosak SA, McEwan PJ, McKernan KJ, Malek JA, Gunaratne PH, Richards S, Worley KC, Hale S, Garcia AM, Gay LJ, Hulyk SW, Villalon DK, Muzny DM, Sodergren EJ, Lu X, Gibbs RA, Fahey J, Helton E, Ketteman M, Madan A, Rodrigues S, Sanchez A, Whiting M, Madan A, Young AC, Shevchenko Y, Bouffard GG, Blakesley RW, Touchman JW, Green ED, Dickson MC, Rodriguez AC, Grimwood J, Schmutz J, Myers RM, Butterfield YS, Krzywinski MI, Skalska U, Smailus DE, Schnerch A, Schein JE, Jones SJ, Marra MA: Generation and initial analysis of more than 15,000 full-length human and mouse cDNA sequences. Proc Natl Acad Sci U S A. 2002 Dec 24;99(26):16899-903. Epub 2002 Dec 11. [PubMed Link Image]
Enzyme 4 Metabolite References Not Available