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

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ChEBI Name mono(glucosyluronic acid)bilirubin(2−)
ChEBI ID CHEBI:57767
ChEBI ASCII Name mono(glucosyluronic acid)bilirubin(2-)
Definition A dicarboxylic acid dianion resulting from the deprotonation of both of the carboxy groups of mono(glucosyluronic acid)bilirubin; major species at pH 7.3.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C39H42N4O12
Net Charge -2
Average Mass 758.77040
Monoisotopic Mass 758.28102
InChI InChI=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
InChIKey ARBDURHEPGRPSR-GEADQAOESA-L
SMILES CC1=C(C=C)\C(NC1=O)=C/c1[nH]c(Cc2[nH]c(\C=C3NC(=O)C(C=C)=C\3C)c(C)c2CCC([O-])=O)c(CCC(=O)O[C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)C([O-])=O)c1C
Metabolite of Species Details
Homo sapiens (NCBI:txid9606) See: DOI
Roles Classification
Biological Role(s): human metabolite
Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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 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
Synonyms Sources
(4E,15E)-bilirubin IXα C8-β-D-glucuronoside UniProt
mono(glucosyluronic acid)bilirubin dianion ChEBI
Last Modified
05 March 2024