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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.
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
mouse metabolite  Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
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