Chemistry:Glycodeoxycholic acid

Glycodeoxycholic acid

Names
IUPAC name N-(3α,12α-Dihydroxy-5β-cholan-24-oyl)glycine
Systematic IUPAC name {(4R)-4-[(1R,3aS,3bR,5aR,7R,9aS,9bS,11S,11aR)-7,11-Dihydroxy-9a,11a-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-1-yl]pentanamido}acetic acid
Identifiers
CAS Number	360-65-6 Y
3D model (JSmol)	Interactive image
ChEBI	CHEBI:27471 N
ChemSpider	2299354 N
IUPHAR/BPS	4714
KEGG	C05464 N
MeSH	D006002
PubChem CID	3035026
UNII	DS124M0828 Y
InChI InChI=1S/C26H43NO5/c1-15(4-9-23(30)27-14-24(31)32)19-7-8-20-18-6-5-16-12-17(28)10-11-25(16,2)21(18)13-22(29)26(19,20)3/h15-22,28-29H,4-14H2,1-3H3,(H,27,30)(H,31,32)/t15-,16-,17-,18+,19-,20+,21+,22+,25+,26-/m1/s1 N Key: WVULKSPCQVQLCU-BUXLTGKBSA-N N InChI=1/C26H43NO5/c1-15(4-9-23(30)27-14-24(31)32)19-7-8-20-18-6-5-16-12-17(28)10-11-25(16,2)21(18)13-22(29)26(19,20)3/h15-22,28-29H,4-14H2,1-3H3,(H,27,30)(H,31,32)/t15-,16-,17-,18+,19-,20+,21+,22+,25+,26-/m1/s1 Key: WVULKSPCQVQLCU-BUXLTGKBBM
SMILES C[C@H](CCC(=O)NCC(=O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2CC[C@H]4[C@@]3(CC[C@H](C4)O)C)O)C
Properties
Chemical formula	C26H43NO5
Molar mass	449.632 g·mol−1
Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa).
N verify (what is YN ?)
Infobox references

Tracking categories (test):

• SizeSet

Glycodeoxycholic acid is a bile acid derived from deoxycholic acid and glycine. Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa).

Serum concentration of glycodeoxycholic acid, a downstream microbial metabolite of cholic acid, is strongly associated with an increased risk of proximal colorectal cancer among women.