CHEBI:18392 - bis(β-glucosyluronic acid)bilirubin

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name bis(β-glucosyluronic acid)bilirubin
ChEBI ID CHEBI:18392
ChEBI ASCII Name bis(beta-glucosyluronic acid)bilirubin
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:3100, CHEBI:22873, CHEBI:13899, CHEBI:22871
Supplier Information
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Formula C45H52N4O18
Net Charge 0
Average Mass 936.91054
Monoisotopic Mass 936.328
InChI InChI=1S/C45H52N4O18/c1-7-20-19(6)40(58)49-27(20)14-25-18(5)23(10-12-31(51)65-45-37(57)33(53)35(55)39(67-45)43(62)63)29(47-25)15-28-22(17(4)24(46-28)13-26-16(3)21(8-2)41(59)48-26)9-11-30(50)64-44-36(56)32(52)34(54)38(66-44)42(60)61/h7-8,13-14,32-39,44-47,52-57H,1-2,9-12,15H2,3-6H3,(H,48,59)(H,49,58)(H,60,61)(H,62,63)/b26-13+,27-14+/t32-,33-,34-,35-,36+,37+,38-,39-,44+,45+/m0/s1
InChIKey SCJLWMXOOYZBTH-SDXZDYKGSA-N
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@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)C(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
Mus musculus (NCBI:10090) Source: BioModels - MODEL1507180067 See: PubMed
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
Biological Role(s): mouse metabolite
Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
View more via ChEBI Ontology
ChEBI Ontology
Outgoing bis(β-glucosyluronic acid)bilirubin (CHEBI:18392) has role mouse metabolite (CHEBI:75771)
bis(β-glucosyluronic acid)bilirubin (CHEBI:18392) is a (glucosyluronic acid)bilirubin (CHEBI:22872)
bis(β-glucosyluronic acid)bilirubin (CHEBI:18392) is conjugate acid of bis(β-glucosyluronate)bilirubin (CHEBI:58471)
Incoming bis(β-glucosyluronate)bilirubin (CHEBI:58471) is conjugate base of bis(β-glucosyluronic acid)bilirubin (CHEBI:18392)
IUPAC Name
1,1'-di-O-{3,3'-[8-(carboxyethyl)-2,17-diethenyl-2,7,13,18-tetramethyl-1,19-dioxo-21,24-dihydrobila-4,15-diene-8,12-diyl]dipropanoyl}bis(β-D-glucopyranuronic acid)
Synonyms Sources
Bilirubin beta-diglucuronide KEGG COMPOUND
Bilirubin-bisglucuronoside KEGG COMPOUND
Database Link Database
C05787 KEGG COMPOUND
View more database links
Registry Numbers Types Sources
17459-92-6 CAS Registry Number KEGG COMPOUND
17459-92-6 CAS Registry Number ChemIDplus
Last Modified
27 January 2016