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CHEBI:91027 - biliverdin hydrochloride

ChEBI IDCHEBI:91027
ChEBI Namebiliverdin hydrochloride
Stars
DefinitionA hydrochloride obtained by combining biliverdin with one molar equivalent of hydrogen chloride.
Last Modified29 January 2016
SubmitterSteve
DownloadsMolfile
FormulaC33H34N4O6.HCl
Net Charge0
Average Mass619.118
Monoisotopic Mass618.22451
SMILESC=CC1=C(C)/C(=C/C2=N/C(=C\c3nc(/C=C4\NC(=O)C(C)=C4C=C)c(C)c3CCC(=O)O)C(CCC(=O)O)=C2C)NC1=O.Cl
InChIInChI=1S/C33H34N4O6.ClH/c1-7-20-19(6)32(42)37-27(20)14-25-18(5)23(10-12-31(40)41)29(35-25)15-28-22(9-11-30(38)39)17(4)24(34-28)13-26-16(3)21(8-2)33(43)36-26;/h7-8,13-15,35H,1-2,9-12H2,3-6H3,(H,36,43)(H,37,42)(H,38,39)(H,40,41);1H/b26-13-,27-14-,28-15-;
InChIKeyKTRFJVRKVQROKS-UJCZHUFNSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) - PubMed (19425150) Source: BioModels - MODEL1507180067
Homo sapiens (ncbitaxon:9606)
- PubMed (14977878)
- MetaboLights (MTBLS90)
- MetaboLights (MTBLS93)
- MetaboLights (MTBLS124)
- PubMed (25502724)
Roles Classification
Biological Roles:
mouse metabolite  Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
human metabolite  Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
ChEBI Ontology
Outgoing Relation(s)
biliverdin hydrochloride (CHEBI:91027) has part biliverdin (CHEBI:17033)
biliverdin hydrochloride (CHEBI:91027) has role human metabolite (CHEBI:77746)
biliverdin hydrochloride (CHEBI:91027) has role mouse metabolite (CHEBI:75771)
biliverdin hydrochloride (CHEBI:91027) is a hydrochloride (CHEBI:36807)
Synonyms  Source
biliverdin monohydrochlorideChEBI
biliverdin.HClChEBI
Registry NumbersSources
Reaxys:11158848Reaxys
Citations