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glycodeoxycholate

Properties

Image

Occurences in reactions

MNX_ID

MNXM1108524

	#reac
in my sandbox	0
in MNXref (generic)	2
in models (compartimentalized)	6

formula

C₂₆H₄₂NO₅

charge

-1

mass

448.30685

reference

chebi:82982

InChIKey

WVULKSPCQVQLCU-BUXLTGKBSA-M

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)/p-1/t15-,16-,17-,18+,19-,20+,21+,22+,25+,26-/m1/s1

SMILES

C[C@H](CCC(=O)NCC(=O)[O-])[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@@]21C

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:82982 chebi:82982	glycodeoxycholate {[(3alpha,5beta,12alpha)-3,12-dihydroxy-24-oxocholan-24-yl]amino}acetate
sabiork.compound:7934 sabiorkM:7934	Glycodeoxycholate
kegg.compound:C05464 keggC:C05464	Glycodeoxycholate 3alpha,12alpha-Dihydroxy-5beta-cholan-24-oylglycine Glycodeoxycholic acid
seed.compound:cpd03245 seedM:cpd03245	Glycodeoxycholate Glycodeoxycholic acid glycodeoxycholate glycodeoxycholic acid
metacyc.compound:GLYCODEOXYCHOLIC_ACID metacycM:GLYCODEOXYCHOLIC_ACID	glycodeoxycholate glycodeoxycholic acid
CHEBI:27471 chebi:27471	glycodeoxycholic acid GDCA Glycodeoxycholate N-(3alpha,12alpha-dihydroxy-5beta-cholan-24-oyl)glycine deoxycholic acid glycine conjugate deoxycholylglycine glycodesoxycholic acid
lipidmaps:LMST05030006 lipidmapsM:LMST05030006	glycodeoxycholic acid G Glycodeoxycholate N-(3alpha,12alpha-dihydroxy-5beta-cholan-24-oyl)glycine O4 ST 24:1 deoxycholic acid glycine conjugate deoxycholylglycine glycodeoxycholic acid glycodesoxycholic acid
chebi:1686 chebi:20208 chebi:5465 keggC:M_C05464 seedM:M_cpd03245	secondary/obsolete/fantasy identifier