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17-hydroxyandrostane-3-glucuronide

MNXM167068 is deprecated and here replaced by MNXM1368632
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM1368632 Image of MNXM1368632
referencechebi:184582
formulaC25H40O8
global charge0
mol weight468.587
InChIKeyGYNWSIBKBBWJJW-JRTXBCKMSA-N
InChIInChI=1S/C25H40O8/c1-24-9-7-13(32-23-20(29)18(27)19(28)21(33-23)22(30)31)11-12(24)3-4-14-15-5-6-17(26)25(15,2)10-8-16(14)24/h12-21,23,26-29H,3-11H2,1-2H3,(H,30,31)/t12-,13+,14-,15-,16-,17-,18+,19-,20+,21+,23+,24-,25-/m0/s1
SMILESC[C@]12CC[C@@H](O[C@@H]3O[C@@H](C(=O)O)[C@@H](O)[C@@H](O)[C@H]3O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](O)CC[C@@H]12
MNX internals
InChI (mnx)InChI=1/C25H40O8/c1-24-9-7-13(32-23-20(29)18(27)19(28)21(33-23)22(30)31)11-12(24)3-4-14-15-5-6-17(26)25(15,2)10-8-16(14)24/h12-21,23,26-29H,3-11H2,1-2H3,(H,30,31)/t12-,13+,14-,15-,16-,17-,18+,19-,20+,21+,23+,24-,25-/m0/s1 Image of MNXM1368632
SMILES (mnx)[CH3:1][C@:24]12[CH2:9][CH2:7][C@@H:13]([O:32][C@H:23]3[C@H:20]([OH:29])[C@H:18]([OH:27])[C@H:19]([OH:28])[C@H:21]([C:22](=[O:30])[OH:31])[O:33]3)[CH2:11][C@@H:12]1[CH2:3][CH2:4][C@H:14]1[C@@H:15]3[CH2:5][CH2:6][C@H:17]([OH:26])[C@@:25]3([CH3:2])[CH2:10][CH2:8][C@@H:16]12
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)0
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:184582
chebi:184582
GYNWSIBKBBWJJW-JRTXBCKMSA-N
17-hydroxyandrostane-3-glucuronide
(2R,3S,4R,5R,6R)-3,4,5-trihydroxy-6-[[(3R,5S,8R,9S,10S,13S,14S,17S)-17-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]oxane-2-carboxylic acid
hmdb:HMDB0010359
GYNWSIBKBBWJJW-JRTXBCKMSA-N
17-Hydroxyandrostane-3-glucuronide
(2R,3S,4R,5R,6R)-3,4,5-trihydroxy-6-{[(1S,2S,5R,7S,10R,11S,14S,15S)-14-hydroxy-2,15-dimethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadecan-5-yl]oxy}oxane-2-carboxylic acid
(3alpha,5alpha,17beta)-17-Hydroxyandrostan-3-yl-beta-D-glucopyranosiduronic acid
(3alpha,5alpha,17beta)-17-Hydroxyandrostan-3-yl-beta-delta-glucopyranosiduronic acid
17-Hydroxyandrostane-3-glucuronide, (3alpha,5alpha)-isomer
17-Hydroxyandrostane-3-glucuronide, (3alpha,5beta)-isomer
17-Hydroxyandrostane-3-glucuronoside
17beta-Hydroxy-5alpha-androstan-3alpha-yl-glucosiduronic acid
Adiol 3-g

hmdb:HMDB10359
secondary/obsolete/fantasy identifier