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glycocholate

MNXM729730 is deprecated and replaced by MNXM729727

Properties

Image

Occurences in reactions

MNX_ID

MNXM729727

	#reac
in my sandbox	0
in MNXref (generic)	18
in models (compartimentalized)	28

formula

C₂₆H₄₂NO₆

charge

-1

mass

464.30176

reference

chebi:29746

InChIKey

RFDAIACWWDREDC-FRVQLJSFSA-M

InChI

InChI=1S/C26H43NO6/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)/p-1/t14-,15+,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](C[C@H](O)[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:29746 chebi:29746	glycocholate N-(3alpha,7alpha,12alpha-trihydroxy-5beta-cholan-24-oyl)glycinate
bigg.metabolite:gchola biggM:gchola	Glycocholate
seed.compound:cpd01318 seedM:cpd01318	Glycocholate 3alpha,7alpha,12alpha-Trihydroxy-5beta-cholan-24-oylglycine 3alpha,7alpha,12alpha-trihydroxy-5beta-cholan-24-oylglycine Glycocholic acid glycocholate glycocholic acid
sabiork.compound:5888 sabiorkM:5888 kegg.compound:C01921 keggC:C01921	Glycocholate 3alpha,7alpha,12alpha-Trihydroxy-5beta-cholan-24-oylglycine Glycocholic acid
lipidmaps:LMST05030001 lipidmapsM:LMST05030001	Glycocholic Acid Cholylglycine G N-(3alpha,7alpha,12alpha-trihydroxy-5beta-cholan-24-oyl)-glycine O5 ST 24:1
SLM:000485375 slm:000485375	glycocholate
metacyc.compound:GLYCOCHOLIC_ACID metacycM:GLYCOCHOLIC_ACID	glycocholate 3alpha,7alpha,12alpha-trihydroxy-5beta-cholan-24-oylglycine glycocholic acid
reactome:R-ALL-159435 reactomeM:R-ALL-159435 reactome:R-ALL-192464 reactomeM:R-ALL-192464 reactome:R-ALL-193483 reactomeM:R-ALL-193483 CHEBI:17687 chebi:17687	glycocholic acid 3alpha,7alpha,12alpha-Trihydroxy-5beta-cholan-24-oylglycine 3alpha,7alpha,12alpha-trihydroxy-5beta-cholan-24-oylglycine GLYCOCHOLIC ACID Glycocholic acid N-(3alpha,7alpha,12alpha-trihydroxy-5beta-cholan-24-oyl)glycine N-[(3alpha,5beta,7alpha,12alpha)-3,7,12-trihydroxy-24-oxocholan-24-yl]glycine N-choloylglycine
chebi:11894 chebi:14345 chebi:20215 chebi:24377 chebi:24378 chebi:42804 chebi:5464 chebi:58235 biggM:M_gchola keggC:M_C01921 seedM:M_cpd01318	secondary/obsolete/fantasy identifier