Chem
J-GLOBAL ID：200907061894024258   Nikkaji number：J960.895H

6α-GlcA-HDCA

6α-グルクロノシルヒオデオキシコール酸
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： C30H48O10
Molecular formula furigana： C30-H48-O10
Molecular weight： 568.704
InChI： InChI=1S/C30H48O10/c1-14(4-7-22(32)33)17-5-6-18-16-13-21(39-28-25(36)23(34)24(35)26(40-28)27(37)38)20-12-15(31)8-10-30(20,3)19(16)9-11-29(17,18)2/h14-21,23-26,28,31,34-36H,4-13H2,1-3H3,(H,32,33)(H,37,38)/t14-,15-,16+,17-,18+,19+,20+,21+,23+,24+,25-,26+,28-,29-,30-/m1/s1
InChI key： MAXKTGFGXCXJFY-HHUAQUJWSA-N
SMILES： C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3C[C@H](O[C@@H]4O[C@@H]([C@@H](O)[C@H](O)[C@H]4O)C(=O)O)[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
Systematic name  (5)：
  • 3α-ヒドロキシ-6α-β-D-グルコピラヌロノシルオキシ-5β-コラン-24-酸
  • 6α-(β-D-グルコピラヌロノシルオキシ)-3α-ヒドロキシ-5β-コラン-24-酸
  • 6α-[(β-D-グルコピラヌロノシル)オキシ]-3α-ヒドロキシ-5β-コラン酸
  • (2S,3S,4S,5R,6R)-6-{[(1R,3aS,3bS,5S,5aR,7R,9aR,9bS,11aR)-1-[(2R)-4-カルボキシブタン-2-イル]-7-ヒドロキシ-9a,11a-ジメチル-ヘキサデカヒドロ-1H-シクロペンタ[a]フェナントレン-5-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,6R)-6-{[(1R,3aS,3bS,5S,5aR,7R,9aR,9bS,11aR)-1-[(2R)-4-carboxybutan-2-yl]-7-hydroxy-9a,11a-dimethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-5-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid
Other name (6)：
  • 6α-[(β-D-Glucopyranuronosyl)oxy]-3α-hydroxy-5β-cholanic acid
  • 3α-Hydroxy-6α-β-D-glucopyranuronosyloxy-5β-cholan-24-oic acid
  • 6α-GlcA-HDCA
  • 6α-(β-D-Glucopyranuronosyloxy)-3α-hydroxy-5β-cholan-24-oic acid
  • 6alpha-Glucuronosylhyodeoxycholate
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KEGG COMPOUND： C11246
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