337609

Glycocholic acid-(glycyl-1-¹³C) monohydrate

99 atom % ¹³C

• Empirical Formula (Hill Notation): ¹³CC₂₅H₄₃NO₆ · H₂O
• CAS Number: 64431-95-4
• Molecular Weight: 484.63
• MDL number: MFCD00167404
• UNSPSC Code: 12352202
• PubChem Substance ID: 24860489

Properties

• isotopic purity: 99 atom % ¹³C
• form: powder
• technique(s): mass spectrometry (MS): suitable
• mp: 135-140 °C (lit.)
• mass shift: M+1
• SMILES string: O.C[C@H](CCC(=O)NC[13C](O)=O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C
• InChI: 1S/C26H43NO6.H2O/c1-14(4-7-22(31)27-13-23(32)33)17-5-6-18-24-19(12-21(30)26(17,18)3)25(2)9-8-16(28)10-15(25)11-20(24)29;/h14-21,24,28-30H,4-13H2,1-3H3,(H,27,31)(H,32,33);1H2/t14-,15+,16-,17-,18+,19+,20-,21+,24+,25+,26-;/m1./s1/i23+1;
• InChI key: WDKPRHOCWKLQPK-TXDHSPGBSA-N

Description

Application

Substrate used for ¹³CO₂ breath tests in ileal dysfunction diagnosis.

Packaging

This product may be available from bulk stock and can be packaged on demand. For information on pricing, availability and packaging, please contact Stable Isotopes Customer Service.

Safety Information

• Storage Class Code: 11 - Combustible Solids
• WGK: WGK 3
• Flash Point(F): Not applicable
• Flash Point(C): Not applicable