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glycoursodeoxycholic acid

Properties

Image

Occurences in reactions

MNX_ID

MNXM162410

	#reac
in my sandbox	0
in MNXref (generic)	9
in models (compartimentalized)	10

formula

C₂₆H₄₃NO₅

charge

mass

449.31412

reference

chebi:89929

InChIKey

GHCZAUBVMUEKKP-XROMFQGDSA-N

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)/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](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:89929 chebi:89929	glycoursodeoxycholic acid 3alpha,7beta-dihydroxy-5beta-cholanoylglycine GUDCA Glycine ursodeoxycholic acid Glycylursodeoxycholic acid N-(3alpha,7beta-dihydroxy-5beta-cholan-24-oyl)glycine N-[(3alpha,5beta,7beta)-3,7-dihydroxy-24-oxocholan-24-yl]glycine Ursodeoxycholylglycine
bigg.metabolite:HC02196 biggM:HC02196	Glycoursodeoxycholate
hmdb:HMDB0000708	Glycoursodeoxycholic acid (3beta,5beta,7beta)-3,7-Dihydroxycholan-24-oic acid 2-[(4R)-4-[(1S,2S,5R,7S,9S,10R,11S,14R,15R)-5,9-dihydroxy-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadecan-14-yl]pentanamido]acetic acid 3a,7b-Dihydroxy-5b-cholanoylglycine 3alpha,7beta-Dihydroxy-5beta-cholanoylglycine 3alpha,7beta-dihydroxy-5beta-cholanoylglycine 3beta,7beta-Dihydroxy-5beta-cholan-24-oic acid 3beta,7beta-Dihydroxy-5beta-cholanic acid 3beta,7beta-Dihydroxy-5beta-cholanoic acid 3beta-Ursodeoxycholic acid GUDCA Glycine ursodeoxycholate Glycine ursodeoxycholic acid Glycoursodeoxycholate Glycylursodeoxycholate Glycylursodeoxycholic acid Isoursodeoxycholic acid N-(3a,7b-Dihydroxy-5b-cholan-24-oyl)glycine N-(3alpha,7beta-Dihydroxy-5beta-cholan-24-oyl)glycine N-(3alpha,7beta-dihydroxy-5beta-cholan-24-oyl)glycine N-[(3a,5b,7b)-3,7-Dihydroxy-24-oxocholan-24-yl]glycine N-[(3alpha,5beta,7beta)-3,7-Dihydroxy-24-oxocholan-24-yl]glycine N-[(3alpha,5beta,7beta)-3,7-dihydroxy-24-oxocholan-24-yl]glycine Ursodeoxycholylglycine [(4R)-4-[(1S,2S,5R,7S,9S,10R,11S,14R,15R)-5,9-dihydroxy-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadecan-14-yl]pentanamido]acetic acid
lipidmaps:LMST05030016 lipidmapsM:LMST05030016	Glycoursodeoxycholic acid G Glycoursodeoxycholate N-(3alpha,7beta-dihydroxy-5beta-cholan-24-oyl)-glycine O4 ST 24:1
CHEBI:132030 chebi:132030	glycoursodeoxycholate N-(3alpha,7beta-Dihydroxy-5beta-cholan-24-oyl)glycinate N-(3alpha,7beta-dihydroxy-5beta-cholan-24-oyl)glycinate N-ursodeoxycholoylglycinate {[(3alpha,5beta,7beta)-3,7-dihydroxy-24-oxocholan-24-yl]amino}acetate
hmdb:HMDB00708 biggM:M_HC02196	secondary/obsolete/fantasy identifier