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15-Hydroxynorandrostene-3,17-dione glucuronide

PropertiesImage
MNX_IDMNXM33444 Image of MNXM33444
referencechebi:166759
formulaC24H32O9
global charge0
mol weight464.511
InChIKeyADQUXZRKOKKULD-CZOXBATISA-N
InChIInChI=1S/C24H32O9/c1-24-7-6-13-12-5-3-11(25)8-10(12)2-4-14(13)17(24)15(9-16(24)26)32-23-20(29)18(27)19(28)21(33-23)22(30)31/h8,12-15,17-21,23,27-29H,2-7,9H2,1H3,(H,30,31)/t12-,13+,14+,15-,17+,18-,19-,20+,21-,23+,24+/m0/s1
SMILESC[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@H]43)[C@@H]1[C@@H](O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O)CC2=O
MNX internals
InChI (mnx)InChI=1/C24H32O9/c1-24-7-6-13-12-5-3-11(25)8-10(12)2-4-14(13)17(24)15(9-16(24)26)32-23-20(29)18(27)19(28)21(33-23)22(30)31/h8,12-15,17-21,23,27-29H,2-7,9H2,1H3,(H,30,31)/t12-,13+,14+,15-,17+,18-,19-,20+,21-,23+,24+/m0/s1 Image of MNXM33444
SMILES (mnx)[CH3:1][C@:24]12[CH2:7][CH2:6][C@@H:13]3[C@H:12]4[CH2:5][CH2:3][C:11](=[O:25])[CH:8]=[C:10]4[CH2:2][CH2:4][C@H:14]3[C@@H:17]1[C@@H:15]([O:32][C@H:23]1[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]1)[CH2:9][C:16]2=[O:26]
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:166759
chebi:166759
ADQUXZRKOKKULD-CZOXBATISA-N 		15-Hydroxynorandrostene-3,17-dione glucuronide
(2S,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[[(8R,9S,10R,13S,14S,15S)-13-methyl-3,17-dioxo-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-15-yl]oxy]oxane-2-carboxylic acid
hmdb:HMDB0010353
ADQUXZRKOKKULD-CZOXBATISA-N 		15-Hydroxynorandrostene-3,17-dione glucuronide
(2S,3S,4S,5R,6R)-3,4,5-trihydroxy-6-{[(1S,2R,10R,11S,12S,15S)-15-methyl-5,14-dioxotetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-6-en-12-yl]oxy}oxane-2-carboxylic acid
15 alpha-Hydroxynorandrost-4-ene-3,17-dione glucuronide
15-HNADG
15-Hydroxynorandrostene-3,17-dione glucuronoside
15alpha-Hydroxynorandrost-4-ene-3,17-dione glucuronide
15alpha-Hydroxynorandrost-4-ene-3,17-dione glucuronoside
Androst-4-ene-3,17-dione, 15-hydroxy glucuronide

lipidmaps:LMST05010033
lipidmapsM:LMST05010033
ADQUXZRKOKKULD-CZOXBATISA-N 		15-hydroxynorandrostene-3,17-dione glucuronide
GlcA
O3
ST 18:3

hmdb:HMDB10353 		secondary/obsolete/fantasy identifier