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glycochenodeoxycholate

Properties

Image

Occurences in reactions

MNX_ID

MNXM732862

	#reac
in my sandbox	0
in MNXref (generic)	13
in models (compartimentalized)	14

formula

C₂₆H₄₂NO₅

charge

-1

mass

448.30685

reference

chebi:36252

InChIKey

GHCZAUBVMUEKKP-GYPHWSFCSA-M

InChI

InChI=1S/C26H43NO5/c1-15(4-7-22(30)27-14-23(31)32)18-5-6-19-24-20(9-11-26(18,19)3)25(2)10-8-17(28)12-16(25)13-21(24)29/h15-21,24,28-29H,4-14H2,1-3H3,(H,27,30)(H,31,32)/p-1/t15-,16+,17-,18-,19+,20+,21-,24+,25+,26-/m1/s1

SMILES

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

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:36252 chebi:36252	glycochenodeoxycholate N-(3alpha,7alpha-dihydroxy-5beta-cholan-24-oyl)glycinate
bigg.metabolite:dgchol biggM:dgchol	Chenodeoxyglycocholate
seed.compound:cpd03243 seedM:cpd03243	Chenodeoxyglycocholate Glycochenodeoxycholate Glycochenodeoxycholic acid glycochenodeoxycholate glycochenodeoxycholic acid
sabiork.compound:7936 sabiorkM:7936	Glycochenodeoxycholate
kegg.compound:C05466 keggC:C05466	Glycochenodeoxycholate Chenodeoxyglycocholate Glycochenodeoxycholic acid
sabiork.compound:26645 sabiorkM:26645	Glycochenodeoxycholic acid
lipidmaps:LMST05030008 lipidmapsM:LMST05030008	Glycochenodeoxycholic acid Chenodeoxycholic acid glycine conjugate Chenoglycodeoxycholic acid G N-(3alpha,7alpha-dihydroxy-5beta-cholan-24-oyl)-glycine O4 ST 24:1
SLM:000485695 slm:000485695	glycochenodeoxycholate
metacyc.compound:GLYCOCHENODEOXYCHOLIC_ACID metacycM:GLYCOCHENODEOXYCHOLIC_ACID	glycochenodeoxycholate glycochenodeoxycholic acid
reactome:R-ALL-159432 reactomeM:R-ALL-159432 reactome:R-ALL-192473 reactomeM:R-ALL-192473 reactome:R-ALL-193530 reactomeM:R-ALL-193530 CHEBI:36274 chebi:36274	glycochenodeoxycholic acid Chenodeoxyglycocholate GCDCA GLYCOCHENODEOXYCHOLIC ACID Glycochenodeoxycholate Glycochenodeoxycholic acid N-(3alpha,7alpha-dihydroxy-5beta-cholan-24-oyl)glycine [(3alpha,7alpha-dihydroxy-24-oxo-5beta-cholan-24-yl)amino]acetic acid chenodeoxycholylglycine chenodeoxyglycocholic acid glycine chenodeoxycholate
chebi:3591 chebi:41520 chebi:5463 chebi:58664 chebi:59452 biggM:M_dgchol keggC:M_C05466 seedM:M_cpd03243	secondary/obsolete/fantasy identifier