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CHEBI:58471 - bis(β-glucosyluronate)bilirubin

ChEBI IDCHEBI:58471
ChEBI Namebis(β-glucosyluronate)bilirubin
Stars
ASCII Namebis(beta-glucosyluronate)bilirubin
DefinitionConjugate base of bis(β-glucosyluronic acid)bilirubin.
Last Modified5 March 2024
DownloadsMolfile
FormulaC45H50N4O18
Net Charge-2
Average Mass934.905
Monoisotopic Mass934.31311
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[C@@H]3O[C@H](C(=O)[O-])[C@@H](O)[C@H](O)[C@H]3O)c2C)NC1=O
InChIInChI=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)/p-2/b26-13+,27-14+/t32-,33-,34-,35-,36+,37+,38-,39-,44+,45+/m0/s1
InChIKeySCJLWMXOOYZBTH-SDXZDYKGSA-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)
bis(β-glucosyluronate)bilirubin (CHEBI:58471) has role human metabolite (CHEBI:77746)
bis(β-glucosyluronate)bilirubin (CHEBI:58471) is a dicarboxylic acid dianion (CHEBI:28965)
bis(β-glucosyluronate)bilirubin (CHEBI:58471) is conjugate base of bis(β-glucosyluronic acid)bilirubin (CHEBI:18392)
Incoming Relation(s)
bis(β-glucosyluronic acid)bilirubin (CHEBI:18392) is conjugate acid of bis(β-glucosyluronate)bilirubin (CHEBI:58471)
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-glucopyranuronate)
UniProt Name  Source
bilirubin IXα bis-β-D-glucuronosideUniProt