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5-Androstene-3b,16a,17a-triol

PropertiesImage
MNX_IDMNXM38032 Image of MNXM38032
referencechebi:173051
formulaC19H30O3
global charge0
mol weight306.446
InChIKeyGUGSXATYPSGVAY-LFJLJVMTSA-N
InChIInChI=1S/C19H30O3/c1-18-7-5-12(20)9-11(18)3-4-13-14(18)6-8-19(2)15(13)10-16(21)17(19)22/h3,12-17,20-22H,4-10H2,1-2H3/t12-,13+,14-,15-,16+,17+,18-,19-/m0/s1
SMILESC[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@@H]1C[C@@H](O)[C@H]2O
MNX internals
InChI (mnx)InChI=1/C19H30O3/c1-18-7-5-12(20)9-11(18)3-4-13-14(18)6-8-19(2)15(13)10-16(21)17(19)22/h3,12-17,20-22H,4-10H2,1-2H3/t12-,13+,14-,15-,16+,17+,18-,19-/m0/s1 Image of MNXM38032
SMILES (mnx)[CH3:1][C@:18]12[CH2:7][CH2:5][C@H:12]([OH:20])[CH2:9][C:11]1=[CH:3][CH2:4][C@@H:13]1[C@@H:14]2[CH2:6][CH2:8][C@@:19]2([CH3:2])[C@H:15]1[CH2:10][C@@H:16]([OH:21])[C@H:17]2[OH:22]
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:173051
chebi:173051
GUGSXATYPSGVAY-LFJLJVMTSA-N 		5-Androstene-3b,16a,17a-triol
(3S,8R,9S,10R,13S,14S,16R,17S)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,16,17-triol
hmdb:HMDB0000540
GUGSXATYPSGVAY-LFJLJVMTSA-N 		5-Androstene-3b,16a,17a-triol
(1S,2R,5S,10R,11S,13R,14S,15S)-2,15-dimethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-7-ene-5,13,14-triol
5-androstene-3b,16a,17a-triol
Androst-5-ene-3b,16a,17a-triol

lipidmaps:LMST02020097
lipidmapsM:LMST02020097
GUGSXATYPSGVAY-LFJLJVMTSA-N 		5-Androstene-3b,16a,17a-triol
O3
ST 19:1

hmdb:HMDB00540 		secondary/obsolete/fantasy identifier