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glycoursodeoxycholate

PropertiesImage
MNX_IDMNXM162410 Image of MNXM162410
referencechebi:132030
formulaC26H42NO5
global charge-1
mol weight448.624
InChIKeyGHCZAUBVMUEKKP-XROMFQGDSA-M
InChIInChI=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
SMILESC[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@]12C
MNX internals
InChI (mnx)InChI=1/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 Image of MNXM162410
SMILES (mnx)[CH3:1][C@H:15]([CH2:4][CH2:7][C:22](=[N:27][CH2:14][C:23](=[O:31])[OH:32])[OH:30])[C@H:18]1[CH2:5][CH2:6][C@H:19]2[C@H:24]3[C@H:20]([CH2:9][CH2:11][C@:26]12[CH3:3])[C@@:25]1([CH3:2])[CH2:10][CH2:8][C@@H:17]([OH:28])[CH2:12][C@H:16]1[CH2:13][C@@H:21]3[OH:29]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)10
in models (compartimentalized) 12
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:132030
chebi:132030
GHCZAUBVMUEKKP-XROMFQGDSA-M 		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

bigg.metabolite:HC02196
biggM:HC02196
SLM:000501454
slm:000501454
GHCZAUBVMUEKKP-XROMFQGDSA-M
GHCZAUBVMUEKKP-XROMFQGDSA-N 		Glycoursodeoxycholate
hmdb:HMDB0000708
GHCZAUBVMUEKKP-XROMFQGDSA-N 		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
GHCZAUBVMUEKKP-XROMFQGDSA-N 		Glycoursodeoxycholic acid
GUDCA
Gly
Glycoursodeoxycholate
N-(3alpha,7beta-dihydroxy-5beta-cholan-24-oyl)-glycine
O3
ST 24:1
Ursodeoxycholylglycine

metacyc.compound:CPD-25857
metacycM:CPD-25857
GHCZAUBVMUEKKP-XROMFQGDSA-M 		glycoursodeoxycholate
N-(3alpha,7beta-dihydroxy-5beta-cholan-24-oyl)glycinate
N-ursodeoxycholoylglycinate
glycoursodeoxycholic acid
{[(3alpha,5beta,7beta)-3,7-dihydroxy-24-oxocholan-24-yl]amino}acetate

CHEBI:89929
chebi:89929
GHCZAUBVMUEKKP-XROMFQGDSA-N 		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

hmdb:HMDB00708
biggM:M_HC02196 		secondary/obsolete/fantasy identifier