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Human Metabolome Database Version 2.5

 

Showing metabocard for Formyl-5-hydroxykynurenamine (HMDB12948)

Legend: metabolite field enzyme field

Version 2.5
Creation Date 2009-07-25 01:10:24
Update Date 2009-12-16 12:29:31
Accession Number HMDB12948
Secondary Accession Numbers Not Available
Common Name Formyl-5-hydroxykynurenamine
Description Formyl-5-hydroxykynurenamine is found in the tryptophan metabolism pathway. It is produced from serotonin through the action of indoleamine 2,3-dioxygenase [EC:1.13.11.52].
Synonyms
  1. 3-(N-Acetylaminoethyl)-6-hydroxy-5-methoxyindole
  2. 6-hydroxymelatonin
  3. N-(2-(6-hydroxy-5-methoxy-1H-indol-3-yl)ethyl)-Acetamide
  4. N-(2-(6-hydroxy-5-methoxyindol-3-yl)ethyl)-Acetamide
  5. N-[2-(6-hydroxy-5-methoxy-1H-indol-3-yl)ethyl]-Acetamide
  6. N-[2-(6-hydroxy-5-methoxyindol-3-yl)ethyl]-Acetamide
  7. N-(2(6-Hydroxy-5-methoxy-1H-indol-3-yl)ethyl)acetamide
Chemical IUPAC Name N-[2-(6-hydroxy-5-methoxy-1H-indol-3-yl)ethyl]acetamide
Chemical Formula C10H12N2O3
Chemical Structure Structure
Chemical Taxonomy
Kingdom
  • Organic
Super Class
—
Class
—
Sub Class
—
Family
  • Mammalian Metabolite
Species
  • ketone
  • phenol or hydroxyhetarene
  • primary amine
  • primary aliphatic amine (alkylamine)
  • secondary carboxylic acid amide
  • aromatic compound
Biofunction
—
Application
—
Source
  • Endogenous
Average Molecular Weight 208.214
Monoisotopic Molecular Weight 208.084793
Isomeric SMILES NCCC(=O)C1=C(NC=O)C=CC(O)=C1
Canonical SMILES NCCC(=O)C1=C(NC=O)C=CC(O)=C1
KEGG Compound ID C05647 Link Image
BioCyc ID Not Available
BiGG ID Not Available
Wikipedia Link Not Available
NuGOwiki Link HMDB12948 Link Image
Metagene Link HMDB12948 Link Image
METLIN ID Not Available
PubChem Compound 1864 Link Image
PubChem Substance 10442056 Link Image
ChEBI ID Not Available
CAS Registry Number 2208-41-5
InChI Identifier InChI=1/C10H12N2O3/c11-4-3-10(15)8-5-7(14)1-2-9(8)12-6-13/h1-2,5-6,14H,3-4,11H2,(H,12,13)
Synthesis Reference Not Available
Melting Point (Experimental) Not Available
Experimental Water Solubility Not Available Source: PhysProp
Predicted Water Solubility 2.48 mg/mL [Predicted by ALOGPS] Calculated using ALOGPS
Physiological Charge 0
State Solid
Experimental LogP/Hydrophobicity Not Available Source: PhysProp
Predicted LogP/Hydrophobicity -0.38 [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 Not Available
Not Available
Predicted 13C NMR Spectrum Not Available
Not Available
Mass Spectrum Not Available
Simplified TOCSY Spectrum Not Available
BMRB Spectrum Not Available
Cellular Location Not Available
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 Not Available
Metabolic Enzymes
  1. Indoleamine 2,3-dioxygenase
Enzyme 1 [top]
Enzyme 1 ID 5674
Enzyme 1 Name Indoleamine 2,3-dioxygenase
Enzyme 1 Synonyms
  1. IDO
  2. Indoleamine-pyrrole 2,3-dioxygenase
Enzyme 1 Gene Name INDO
Enzyme 1 Protein Sequence >Indoleamine 2,3-dioxygenase 
MAHAMENSWTISKEYHIDEEVGFALPNPQENLPDFYNDWMFIAKHLPDLIESGQLRERVE
KLNMLSIDHLTDHKSQRLARLVLGCITMAYVWGKGHGDVRKVLPRNIAVPYCQLSKKLEL
PPILVYADCVLANWKKKDPNKPLTYENMDVLFSFRDGDCSKGFFLVSLLVEIAAASAIKV
IPTVFKAMQMQERDTLLKALLEIASCLEKALQVFHQIHDHVNPKAFFSVLRIYLSGWKGN
PQLSDGLVYEGFWEDPKEFAGGSAGQSSVFQCFDVLLGIQQTAGGGHAAQFLQDMRRYMP
PAHRNFLCSLESNPSVREFVLSKGDAGLREAYDACVKALVSLRSYHLQIVTKYILIPASQ
QPKENKTSEDPSKLEAKGTGGTDLMNFLKTVRSTTEKSLLKEG
Enzyme 1 Number of Residues 403
Enzyme 1 Molecular Weight 45327
Enzyme 1 Theoretical pI 7.33
Enzyme 1 GO Classification
Function
  • binding
  • heme binding
  • tetrapyrrole binding
Process
—
Component
—
Enzyme 1 General Function Not Available
Enzyme 1 Specific Function Catalyzes the cleavage of the pyrrol ring of tryptophan and incorporates both atoms of a molecule of oxygen
Enzyme 1 Pathways Not Available
Enzyme 1 Reactions Not Available
Enzyme 1 Pfam Domain Function
Enzyme 1 Signals
  • None
Enzyme 1 Transmembrane Regions
  • None
Enzyme 1 Essentiality Not Available
Enzyme 1 GenBank ID Protein 306956 Link Image
Enzyme 1 UniProtKB/Swiss-Prot ID P14902 Link Image
Enzyme 1 UniProtKB/Swiss-Prot Entry Name I23O_HUMAN Link Image
Enzyme 1 PDB ID Not Available
Enzyme 1 Cellular Location Not Available
Enzyme 1 Gene Sequence >1212 bp 
ATGGCACACGCTATGGAAAACTCCTGGACAATCAGTAAAGAGTACCATATTGATGAAGAA
GTGGGCTTTGCTCTGCCAAATCCACAGGAAAATCTACCTGATTTTTATAATGACTGGATG
TTCATTGCTAAACATCTGCCTGATCTCATAGAGTCTGGCCAGCTTCGAGAAAGAGTTGAG
AAGTTAAACATGCTCAGCATTGATCATCTCACAGACCACAAGTCACAGCGCCTTGCACGT
CTAGTTCTGGGATGCATCACCATGGCATATGTGTGGGGCAAAGGTCATGGAGATGTCCGT
AAGGTCTTGCCAAGAAATATTGCTGTTCCTTACTGCCAACTCTCCAAGAAACTGGAACTG
CCTCCTATTTTGGTTTATGCAGACTGTGTCTTGGCAAACTGGAAGAAAAAGGATCCTAAT
AAGCCCCTGACTTATGAGAACATGGACGTTTTGTTCTCATTTCGTGATGGAGACTGCAGT
AAAGGATTCTTCCTGGTCTCTCTATTGGTGGAAATAGCAGCTGCTTCTGCAATCAAAGTA
ATTCCTACTGTATTCAAGGCAATGCAAATGCAAGAACGGGACACTTTGCTAAAGGCGCTG
TTGGAAATAGCTTCTTGCTTGGAGAAAGCCCTTCAAGTGTTTCACCAAATCCACGATCAT
GTGAACCCAAAAGCATTTTTCAGTGTTCTTCGCATATATTTGTCTGGCTGGAAAGGCAAC
CCCCAGCTATCAGACGGTCTGGTGTATGAAGGGTTCTGGGAAGACCCAAAGGAGTTTGCA
GGGGGCAGTGCAGGCCAAAGCAGCGTCTTTCAGTGCTTTGACGTCCTGCTGGGCATCCAG
CAGACTGCTGGTGGAGGACATGCTGCTCAGTTCCTCCAGGACATGAGAAGATATATGCCA
CCAGCTCACAGGAACTTCCTGTGCTCATTAGAGTCAAATCCCTCAGTCCGTGAGTTTGTC
CTTTCAAAAGGTGATGCTGGCCTGCGGGAAGCTTATGACGCCTGTGTGAAAGCTCTGGTC
TCCCTGAGGAGCTACCATCTGCAAATCGTGACTAAGTACATCCTGATTCCTGCAAGCCAG
CAGCCAAAGGAGAATAAGACCTCTGAAGACCCTTCAAAACTGGAAGCCAAAGGAACTGGA
GGCACTGATTTAATGAATTTCCTGAAGACTGTGAGAAGTACAACTGAGAAATCCCTTTTG
AAGGAAGGTTAA
Enzyme 1 GenBank Gene ID M34455 Link Image
Enzyme 1 GeneCard ID INDO Link Image
Enzyme 1 GenAtlas ID INDO Link Image
Enzyme 1 HGNC ID HGNC:6059 Link Image
Enzyme 1 Chromosome Location 8
Enzyme 1 Locus 8p12-p11
Enzyme 1 SNPs SNPJam Report Link Image
Enzyme 1 General References
  1. Dai W, Gupta SL: Molecular cloning, sequencing and expression of human interferon-gamma-inducible indoleamine 2,3-dioxygenase cDNA. Biochem Biophys Res Commun. 1990 Apr 16;168(1):1-8. [PubMed Link Image]
  2. Tone S, Takikawa O, Habara-Ohkubo A, Kadoya A, Yoshida R, Kido R: Primary structure of human indoleamine 2,3-dioxygenase deduced from the nucleotide sequence of its cDNA. Nucleic Acids Res. 1990 Jan 25;18(2):367. [PubMed Link Image]
  3. Kadoya A, Tone S, Maeda H, Minatogawa Y, Kido R: Gene structure of human indoleamine 2,3-dioxygenase. Biochem Biophys Res Commun. 1992 Nov 30;189(1):530-6. [PubMed Link Image]
Enzyme 1 Metabolite References Not Available