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bilirubin-glucuronoside

Properties

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Occurences in reactions

MNX_ID

MNXM1103949

	#reac
in my sandbox	0
in MNXref (generic)	10
in models (compartimentalized)	17

formula

C₃₉H₄₂N₄O₁₂

charge

-2

mass

758.28102

reference

chebi:57767

InChIKey

ARBDURHEPGRPSR-GEADQAOESA-L

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

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-])c2C)NC1=O

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Similar chemical compounds in external resources
Identifier	Description
CHEBI:57767 chebi:57767	bilirubin-glucuronoside 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}-beta-D-glucopyranuronate mono(glucosyluronic acid)bilirubin dianion mono(glucosyluronic acid)bilirubin(2-)
bigg.metabolite:bilglcur biggM:bilglcur	Bilirubin monoglucuronide
sabiork.compound:6585 sabiorkM:6585	Bilirubin-glucuronoside BMGa Bilirubin monoglucuronide
kegg.compound:C03374 keggC:C03374	Bilirubin-glucuronoside Bilirubin monoglucuronide
seed.compound:cpd02141 seedM:cpd02141	Bilirubin-glucuronoside Bilirubin monoglucuronide C12-beta-glucuronosyl-bilirubin-IX alpha bilirubin glucuronoside (C12 isomer) bilirubin monoglucuronide bilirubin monoglucuronide (C12 isomer) bilirubin-glucuronoside
metacyc.compound:BILIRUBIN-GLUCURONOSIDE metacycM:BILIRUBIN-GLUCURONOSIDE	C12-beta-glucuronosyl-bilirubin-IX alpha bilirubin glucuronoside (C12 isomer) bilirubin monoglucuronide (C12 isomer)
hmdb:HMDB0060169	Mono(glucosyluronic acid)bilirubin (2S,3S,4S,5R,6S)-6-{[3-(2-{[3-(2-carboxyethyl)-5-{[(2E)-4-ethenyl-5-hydroxy-3-methyl-2H-pyrrol-2-ylidene]methyl}-4-methyl-1H-pyrrol-2-yl]methyl}-5-{[(2Z)-3-ethenyl-5-hydroxy-4-methyl-2H-pyrrol-2-ylidene]methyl}-4-methyl-1H-pyrrol-3-yl)propanoyl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid (2S,3S,4S,5R,6S)-6-{[3-(2-{[3-(2-carboxyethyl)-5-{[(2E)-4-ethenyl-5-hydroxy-3-methylpyrrol-2-ylidene]methyl}-4-methyl-1H-pyrrol-2-yl]methyl}-5-{[(2Z)-3-ethenyl-5-hydroxy-4-methylpyrrol-2-ylidene]methyl}-4-methyl-1H-pyrrol-3-yl)propanoyl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid Bilirubin glucuronide Bilirubin monoglucuronide Bilirubin, glucuronic acid conjugates mono(Glucosyluronate)bilirubin
reactome:R-ALL-159160 reactomeM:R-ALL-159160 CHEBI:16427 chebi:16427	mono(glucosyluronic acid)bilirubin 1-O-{3-[8-(carboxyethyl)-2,17-diethenyl-2,7,13,18-tetramethyl-1,19-dioxo-21,24-dihydrobila-4,15-dien-12-yl]propanoyl}-beta-D-glucopyranuronic acid Bilirubin glucuronate Bilirubin glucuronide Bilirubin monoglucuronide Bilirubin-glucuronoside
hmdb:HMDB60169 chebi:13900 chebi:22874 chebi:3101 biggM:M_bilglcur keggC:M_C03374 seedM:M_cpd02141	secondary/obsolete/fantasy identifier