EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:57767 - mono(glucosyluronic acid)bilirubin(2−)

ChEBI IDCHEBI:57767
ChEBI Namemono(glucosyluronic acid)bilirubin(2−)
Stars
ASCII Namemono(glucosyluronic acid)bilirubin(2-)
DefinitionA dicarboxylic acid dianion resulting from the deprotonation of both of the carboxy groups of mono(glucosyluronic acid)bilirubin; major species at pH 7.3.
Last Modified5 March 2024
DownloadsMolfile
FormulaC39H42N4O12
Net Charge-2
Average Mass758.781
Monoisotopic Mass758.28102
SMILESC=CC1=C(C)/C(=C\c2nc(Cc3nc(/C=C4/NC(=O)C(C)=C4C=C)c(C)c3CCC(=O)O[C@@H]3O[C@H](C(=O)[O-])[C@@H](O)[C@H](O)[C@H]3O)c(CCC(=O)[O-])c2C)NC1=O
InChIInChI=1S/C39H44N4O12/c1-7-20-19(6)36(50)43-27(20)14-25-18(5)23(10-12-31(46)54-39-34(49)32(47)33(48)35(55-39)38(52)53)29(41-25)15-28-22(9-11-30(44)45)17(4)24(40-28)13-26-16(3)21(8-2)37(51)42-26/h7-8,13-14,32-35,39-41,47-49H,1-2,9-12,15H2,3-6H3,(H,42,51)(H,43,50)(H,44,45)(H,52,53)/p-2/b26-13+,27-14+/t32-,33-,34+,35-,39+/m0/s1
InChIKeyARBDURHEPGRPSR-GEADQAOESA-L
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) - DOI (10.1038/nbt.2488)
Roles Classification
Biological Role:
human metabolite  Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
ChEBI Ontology
Outgoing Relation(s)
mono(glucosyluronic acid)bilirubin(2−) (CHEBI:57767) has role human metabolite (CHEBI:77746)
mono(glucosyluronic acid)bilirubin(2−) (CHEBI:57767) is a carbohydrate acid derivative anion (CHEBI:63551)
mono(glucosyluronic acid)bilirubin(2−) (CHEBI:57767) is a dicarboxylic acid dianion (CHEBI:28965)
mono(glucosyluronic acid)bilirubin(2−) (CHEBI:57767) is conjugate base of mono(glucosyluronic acid)bilirubin (CHEBI:16427)
Incoming Relation(s)
mono(glucosyluronic acid)bilirubin (CHEBI:16427) is conjugate acid of mono(glucosyluronic acid)bilirubin(2−) (CHEBI:57767)
IUPAC Name 
1-O-{3-[8-(carboxylatoethyl)-2,17-diethenyl-2,7,13,18-tetramethyl-1,19-dioxo-21,24-dihydrobila-4,15-dien-12-yl]propanoyl}-β-D-glucopyranuronate
Synonym  Source
mono(glucosyluronic acid)bilirubin dianionChEBI
UniProt Name  Source
(4E,15E)-bilirubin IXα C8-β-D-glucuronosideUniProt