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bilirubin-bisglucuronoside

Properties

Image

Occurences in reactions

MNX_ID

MNXM1104084

	#reac
in my sandbox	0
in MNXref (generic)	16
in models (compartimentalized)	18

formula

C₄₅H₅₀N₄O₁₈

charge

-2

mass

934.31311

reference

chebi:58471

InChIKey

SCJLWMXOOYZBTH-SDXZDYKGSA-L

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)/p-2/b26-13+,27-14+/t32-,33-,34-,35-,36+,37+,38-,39-,44+,45+/m0/s1

SMILES

C=CC1=C(C)/C(=C\c2[nH]c(Cc3[nH]c(/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

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:58471 chebi:58471	bilirubin-bisglucuronoside 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(beta-D-glucopyranuronate) bis(beta-glucosyluronate)bilirubin
bigg.metabolite:bildglcur biggM:bildglcur	Bilirubin beta-diglucuronide
sabiork.compound:8145 sabiorkM:8145 kegg.compound:C05787 keggC:C05787	Bilirubin beta-diglucuronide Bilirubin-bisglucuronoside
seed.compound:cpd03428 seedM:cpd03428	Bilirubin-bisglucuronoside Bilirubin beta-diglucuronide bilirubin beta-diglucuronide bilirubin diglucuronide bilirubin-bisglucuronoside bis(beta-glucosyluronate)bilirubin-IX alpha bis(beta-glucuronosyl)bilirubin-IX alpha
metacyc.compound:BILIRUBIN-BISGLUCURONOSIDE metacycM:BILIRUBIN-BISGLUCURONOSIDE	bis(beta-glucosyluronate)bilirubin-IX alpha bilirubin diglucuronide bilirubin-bisglucuronoside bis(beta-glucuronosyl)bilirubin-IX alpha
reactome:R-ALL-159149 reactomeM:R-ALL-159149 CHEBI:18392 chebi:18392	bis(beta-glucosyluronic acid)bilirubin 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(beta-D-glucopyranuronic acid) Bilirubin beta-diglucuronide Bilirubin-bisglucuronoside
chebi:13899 chebi:22871 chebi:22873 chebi:3100 biggM:M_bildglcur keggC:M_C05787 seedM:M_cpd03428	secondary/obsolete/fantasy identifier