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CHEBI:17381 - porphobilinogen

ChEBI IDCHEBI:17381
ChEBI Nameporphobilinogen
Stars
DefinitionA dicarboxylic acid that is pyrole bearing aminomethyl, carboxymethyl and 2-carboxyethyl substituents at positions 2, 3 and 4 respectively.
Secondary ChEBI IDsCHEBI:8335, CHEBI:14867, CHEBI:26212, CHEBI:44832
Last Modified27 January 2016
DownloadsMolfile
FormulaC10H14N2O4
Net Charge0
Average Mass226.232
Monoisotopic Mass226.09536
SMILESNCc1ncc(CCC(=O)O)c1CC(=O)O
InChIInChI=1S/C10H14N2O4/c11-4-8-7(3-10(15)16)6(5-12-8)1-2-9(13)14/h5,12H,1-4,11H2,(H,13,14)(H,15,16)
InChIKeyQSHWIQZFGQKFMA-UHFFFAOYSA-N
Wikipedia
Species of MetaboliteComponentSourceComments
Escherichia coli (ncbitaxon:562) - PubMed (21988831)
Mus musculus (ncbitaxon:10090) - PubMed (19425150) Source: BioModels - MODEL1507180067
Roles Classification
Chemical Roles:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Biological Roles:
Escherichia coli metabolite  Any bacterial metabolite produced during a metabolic reaction in Escherichia coli.
mouse metabolite  Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
porphobilinogen (CHEBI:17381) has role Escherichia coli metabolite (CHEBI:76971)
porphobilinogen (CHEBI:17381) has role metabolite (CHEBI:25212)
porphobilinogen (CHEBI:17381) has role mouse metabolite (CHEBI:75771)
porphobilinogen (CHEBI:17381) is a aralkylamino compound (CHEBI:64365)
porphobilinogen (CHEBI:17381) is a dicarboxylic acid (CHEBI:35692)
porphobilinogen (CHEBI:17381) is a pyrroles (CHEBI:26455)
porphobilinogen (CHEBI:17381) is conjugate acid of porphobilinogen(1−) (CHEBI:58126)
Incoming Relation(s)
porphobilinogen(1−) (CHEBI:58126) is conjugate base of porphobilinogen (CHEBI:17381)
IUPAC Name 
3-[5-(aminomethyl)-4-(carboxymethyl)-1H-pyrrol-3-yl]propanoic acid
Synonym  Source
PorphobilinogenKEGG COMPOUND
Manual XrefsDatabases
C00931KEGG COMPOUND
PBGPDBeChem
DB02272DrugBank
HMDB0000245HMDB
PORPHOBILINOGENMetaCyc
PorphobilinogenWikipedia
C00007339KNApSAcK
Registry NumbersSources
Reaxys:220051Reaxys
CAS:487-90-1KEGG COMPOUND
CAS:487-90-1ChemIDplus
Citations