Search MNXref
 Feedback

hyodeoxycholate 6-O-(beta-D-glucuronate)

PropertiesImage
MNX_IDMNXM38976 Image of MNXM38976
referencechebi:136905
formulaC30H46O10
global charge-2
mol weight566.688
InChIKeyMAXKTGFGXCXJFY-HHUAQUJWSA-L
InChIInChI=1S/C30H48O10/c1-14(4-7-22(32)33)17-5-6-18-16-13-21(39-28-25(36)23(34)24(35)26(40-28)27(37)38)20-12-15(31)8-10-30(20,3)19(16)9-11-29(17,18)2/h14-21,23-26,28,31,34-36H,4-13H2,1-3H3,(H,32,33)(H,37,38)/p-2/t14-,15-,16+,17-,18+,19+,20+,21+,23+,24+,25-,26+,28-,29-,30-/m1/s1
SMILESC[C@H](CCC(=O)[O-])[C@H]1CC[C@H]2[C@@H]3C[C@H](O[C@@H]4O[C@H](C(=O)[O-])[C@@H](O)[C@H](O)[C@H]4O)[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
MNX internals
InChI (mnx)InChI=1/C30H48O10/c1-14(4-7-22(32)33)17-5-6-18-16-13-21(39-28-25(36)23(34)24(35)26(40-28)27(37)38)20-12-15(31)8-10-30(20,3)19(16)9-11-29(17,18)2/h14-21,23-26,28,31,34-36H,4-13H2,1-3H3,(H,32,33)(H,37,38)/t14-,15-,16+,17-,18+,19+,20+,21+,23+,24+,25-,26+,28-,29-,30-/m1/s1 Image of MNXM38976
SMILES (mnx)[CH3:1][C@H:14]([CH2:4][CH2:7][C:22](=[O:32])[OH:33])[C@H:17]1[CH2:5][CH2:6][C@H:18]2[C@@H:16]3[CH2:13][C@H:21]([O:39][C@H:28]4[C@H:25]([OH:36])[C@@H:23]([OH:34])[C@H:24]([OH:35])[C@@H:26]([C:27](=[O:37])[OH:38])[O:40]4)[C@@H:20]4[CH2:12][C@H:15]([OH:31])[CH2:8][CH2:10][C@:30]4([CH3:3])[C@H:19]3[CH2:9][CH2:11][C@:29]12[CH3:2]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)1
in models (compartimentalized) 1
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:136905
chebi:136905
MAXKTGFGXCXJFY-HHUAQUJWSA-L 		hyodeoxycholate 6-O-(beta-D-glucuronate)
(3alpha,5beta,6alpha)-6-(beta-D-glucopyranuronosyloxy)-3-hydroxycholan-24-oate
6alpha-(beta-D-glucopyranuronosyloxy)-3alpha-hydroxy-5beta-cholan-24-oate
HDCA-6G(2-)
hyodeoxycholate 6-O-(beta-D-glucuronide)(2-)

seed.compound:cpd08110
seedM:cpd08110
kegg.compound:C11246
keggC:C11246
MAXKTGFGXCXJFY-HHUAQUJWSA-L
MAXKTGFGXCXJFY-HHUAQUJWSA-M 		6alpha-Glucuronosylhyodeoxycholate

lipidmaps:LMST05010016
lipidmapsM:LMST05010016
MAXKTGFGXCXJFY-HHUAQUJWSA-N 		6alpha-Glucuronosylhyodeoxycholate
3alpha,6alpha-dihydroxy-5beta-cholan-24-oic acid 6-D-glucuronide
GlcA
O4
ST 24:1

SLM:000597799
slm:000597799
MAXKTGFGXCXJFY-HHUAQUJWSA-L 		hyodeoxycholate 6-O-(beta-D-glucuronate)

CHEBI:137822
chebi:137822
MAXKTGFGXCXJFY-HHUAQUJWSA-N 		hyodeoxycholic acid 6-O-(beta-D-glucuronide)
(3alpha,5beta,6alpha)-6-(beta-D-glucopyranuronosyloxy)-3-hydroxycholan-24-oic acid
3alpha,6alpha-dihydroxy-5beta-cholan-24-oic acid 6-D-glucuronide
6alpha-(beta-D-glucopyranuronosyloxy)-3alpha-hydroxy-5beta-cholan-24-oic acid
6alpha-glucuronosylhyodeoxycholate
HDCA-6G
Hdc-6-OG
Hyodeoxycholate-6-O-glucuronide
hyodeoxycholic acid 6-(beta-D-glucuronide)
hyodeoxycholic acid 6-beta-glucuronide
hyodeoxycholic acid 6-glucuronide

chebi:2241
keggC:M_C11246
seedM:M_cpd08110 		secondary/obsolete/fantasy identifier