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CHEBI:15436 - uroporphyrin III

ChEBI IDCHEBI:15436
ChEBI Nameuroporphyrin III
Stars
Secondary ChEBI IDsCHEBI:9903, CHEBI:15299, CHEBI:27255
Last Modified15 February 2021
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC40H38N4O16
Net Charge0
Average Mass830.756
Monoisotopic Mass830.22828
SMILESO=C(O)CCC1=C(CC(=O)O)c2cc3nc(cc4nc(cc5nc(cc1n2)c(CC(=O)O)c5CCC(=O)O)C(CCC(=O)O)=C4CC(=O)O)c(CC(=O)O)c3CCC(=O)O
InChIInChI=1S/C40H38N4O16/c45-33(46)5-1-17-21(9-37(53)54)29-14-27-19(3-7-35(49)50)22(10-38(55)56)30(43-27)15-28-20(4-8-36(51)52)24(12-40(59)60)32(44-28)16-31-23(11-39(57)58)18(2-6-34(47)48)26(42-31)13-25(17)41-29/h13-16,41,44H,1-12H2,(H,45,46)(H,47,48)(H,49,50)(H,51,52)(H,53,54)(H,55,56)(H,57,58)(H,59,60)/b25-13-,26-13-,27-14-,28-15-,29-14-,30-15-,31-16-,32-16-
InChIKeyVZVFNUAIRVUCEW-UJJXFSCMSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) - DOI (10.1038/nbt.2488)
Roles Classification
Biological Roles:
human metabolite  Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
cofactor  An organic molecule or ion (usually a metal ion) that is required by an enzyme for its activity. It may be attached either loosely (coenzyme) or tightly (prosthetic group).
ChEBI Ontology
Outgoing Relation(s)
uroporphyrin III (CHEBI:15436) has role human metabolite (CHEBI:77746)
uroporphyrin III (CHEBI:15436) is a uroporphyrin (CHEBI:27259)
uroporphyrin III (CHEBI:15436) is conjugate acid of uroporphyrin III(8−) (CHEBI:167479)
Incoming Relation(s)
uroporphyrin III(8−) (CHEBI:167479) is conjugate base of uroporphyrin III (CHEBI:15436)
IUPAC Name 
3,8,13,17-tetrakis(carboxymethyl)porphyrin-2,7,12,18-tetrapropanoic acid
Synonyms  Source
3,8,13,17-tetrakis(carboxymethyl)porphyrin-2,7,12,18-tetrapropionic acidJCBN
uroporphyrin 3ChEBI
Uroporphyrin IIIKEGG COMPOUND
Manual XrefsDatabases
16736727ChemSpider
C02469KEGG COMPOUND
FDB005664FooDB
HMDB0000916HMDB
Registry NumbersSources
CAS:18273-06-8KEGG COMPOUND
CAS:18273-06-8ChemIDplus