Chem
J-GLOBAL ID:200907015499683704
Nikkaji number:J345.141K
Bilirubin glucuronide
ビリルビングルクロニド
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Substance type:
Substance type
Substance type classified into 3 categories. Decided structure: Substances with a clear structure Undicided Structure: Substances with unknown or undetermined structure Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula:
C45 H52 N4 O18
Molecular formula furigana:
C45-H52-N4-O18
Molecular weight:
936.921
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)/t32-,33-,34-,35-,36+,37+,38-,39-,44+,45+/m0/s1
InChI key:
SCJLWMXOOYZBTH-ISDVUUGPSA-N
SMILES:
CC1=C(C=C)C(=Cc2[nH]c(Cc3[nH]c(C=C4NC(=O)C(=C4C)C=C)c(C)c3CCC(=O)O[C@@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)C(=O)O)c(CCC(=O)O[C@@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)C(=O)O)c2C)NC1=O
Systematic name (3):
2,17-ジエテニル-1,10,19,22,23,24-ヘキサヒドロ-3,7,13,18-テトラメチル-1,19-ジオキソ-21H-ビリン-8,12-ジプロピオン酸ジ(β-D-グルコピラヌロノシル)
(2S,3S,4S,5R,6S)-6-{[3-(2-{[3-(3-{[(2S,3R,4S,5S,6S)-6-カルボキシ-3,4,5-トリヒドロキシオキサン-2-イル]オキシ}-3-オキソプロピル)-5-[(3-エテニル-4-メチル-5-オキソ-2,5-ジヒドロ-1H-ピロール-2-イリデン)メチル]-4-メチル-1H-ピロール-2-イル]メチル}-5-[(4-エテニル-3-メチル-5-オキソ-2,5-ジヒドロ-1H-ピロール-2-イリデン)メチル]-4-メチル-1H-ピロール-3-イル)プロパノイル]オキシ}-3,4,5-トリヒドロキシオキサン-2-カルボン酸
(2S,3S,4S,5R,6S)-6-{[3-(2-{[3-(3-{[(2S,3R,4S,5S,6S)-6-carboxy-3,4,5-trihydroxyoxan-2-yl]oxy}-3-oxopropyl)-5-[(3-ethenyl-4-methyl-5-oxo-2,5-dihydro-1H-pyrrol-2-ylidene)methyl]-4-methyl-1H-pyrrol-2-yl]methyl}-5-[(4-ethenyl-3-methyl-5-oxo-2,5-dihydro-1H-pyrrol-2-ylidene)methyl]-4-methyl-1H-pyrrol-3-yl)propanoyl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid
Other name (13):
Bilirubin glucuronide
ビリルビングルクロニド
ビリルビンIXα グルクロニド
Bilirubin IXα glucronide
Bilirubin diglucuronide
ビリルビンジグルクロニド
2,17-Diethenyl-1,10,19,22,23,24-hexahydro-3,7,13,18-tetramethyl-1,19-dioxo-21H-biline-8,12-dipropionic acid di(β-D-glucopyranuronosyl) ester
ビリルビンIXα ジグルクロニド
Bilirubin IXα diglucuronide
Bilirubin beta-diglucuronide
Bilirubin-bisglucuronoside
ビリルビンβ-ジグルクロニド
ビリルビン-ビスグルクロニド
Show all
CAS registry number:
17459-92-6
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