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6beta,17beta-dihydroxyandrost-4-en-3-one

MNXM730652 is deprecated and here replaced by MNXM1107925
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM1107925 Image of MNXM1107925
referencechebi:34477
formulaC19H28O3
global charge0
mol weight304.43
InChIKeyXSEGWEUVSZRCBC-ZVBLRVHNSA-N
InChIInChI=1S/C19H28O3/c1-18-7-5-11(20)9-15(18)16(21)10-12-13-3-4-17(22)19(13,2)8-6-14(12)18/h9,12-14,16-17,21-22H,3-8,10H2,1-2H3/t12-,13-,14-,16+,17-,18+,19-/m0/s1
SMILESC[C@]12CC[C@H]3[C@@H](C[C@@H](O)C4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2O
MNX internals
InChI (mnx)InChI=1/C19H28O3/c1-18-7-5-11(20)9-15(18)16(21)10-12-13-3-4-17(22)19(13,2)8-6-14(12)18/h9,12-14,16-17,21-22H,3-8,10H2,1-2H3/t12-,13-,14-,16+,17-,18+,19-/m0/s1 Image of MNXM1107925
SMILES (mnx)[CH3:1][C@:18]12[CH2:7][CH2:5][C:11](=[O:20])[CH:9]=[C:15]1[C@H:16]([OH:21])[CH2:10][C@H:12]1[C@@H:13]3[CH2:3][CH2:4][C@H:17]([OH:22])[C@@:19]3([CH3:2])[CH2:8][CH2:6][C@@H:14]12
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)5
in models (compartimentalized) 5
Similar chemical compounds in external resources
IdentifierDescription

reactome:R-ALL-213144
reactomeM:R-ALL-213144
CHEBI:34477
chebi:34477
XSEGWEUVSZRCBC-ZVBLRVHNSA-N
6beta,17beta-dihydroxyandrost-4-en-3-one
(6beta,17beta)-6,17-dihydroxyandrost-4-en-3-one
4-androsten-6beta,17beta-diol-3-one
6beta,17beta-Dihydroxyandrost-4-en-3-one
6beta,17beta-dihydroxy-4-androsten-3-one
6beta-Hydroxytestosterone
6beta-hydroxytestosterone

bigg.metabolite:6htststerone
biggM:6htststerone
XSEGWEUVSZRCBC-ZVBLRVHNSA-N
6 beta hydroxy testosterone

vmhM:6htststerone
vmhmetabolite:6htststerone
XSEGWEUVSZRCBC-ZVBLRVHNSA-N
6 beta hydroxy testosterone
(1S,2R,8R,10R,11S,14S,15S)-8,14-dihydroxy-2,15-dimethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-6-en-5-one

metacyc.compound:CPD-11570
metacycM:CPD-11570
XSEGWEUVSZRCBC-ZVBLRVHNSA-N
6-beta-hydroxytestosterone
6beta,17beta-dihydroxyandrost-4-en-3-one
hmdb:HMDB0006259
XSEGWEUVSZRCBC-ZVBLRVHNSA-N
6beta-Hydroxytestosterone
(1S,2R,8R,10R,11S,14S,15S)-8,14-dihydroxy-2,15-dimethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-6-en-5-one
(6b,17b)-6,17-Dihydroxyandrost-4-en-3-one
(6beta,17beta)-6,17-Dihydroxyandrost-4-en-3-one
(6beta,17beta)-6,17-dihydroxyandrost-4-en-3-one
2-Octadecanoyl-1-hexadecyl-sn-glycerol
4-Androsten-6b,17b-diol-3-one
4-Androsten-6beta,17beta-diol-3-one
6 beta Hydroxy testosterone
6 beta-Hydroxytestosterone
6 beta-Hydroxytestosterone, (17beta)-isomer
6 beta-Hydroxytestosterone, (6alpha,17beta)-isomer
6,17-Dihydroxy-(6b,17b)-androst-4-en-3-one
6,17-Dihydroxy-(6beta,17beta)-androst-4-en-3-one
6,17-Dihydroxyandrost-4-en-3-one (acd/name 4.0)
6b,17b-Dihydroxy-4-androsten-3-one
6b,17b-Dihydroxyandrost-4-en-3-one
6b-Hydroxytestosterone
6beta,17beta-Dihydroxy-4-androsten-3-one
6beta,17beta-Dihydroxyandrost-4-en-3-one
6beta,17beta-dihydroxy-4-androsten-3-one
6beta,17beta-dihydroxyandrost-4-en-3-one
6beta-hydroxytestosterone

seed.compound:cpd10196
seedM:cpd10196
XSEGWEUVSZRCBC-ZVBLRVHNSA-N
6beta-Hydroxytestosterone
6-beta-hydroxytestosterone
6beta,17beta-Dihydroxyandrost-4-en-3-one
6beta,17beta-dihydroxyandrost-4-en-3-one

sabiork.compound:21143
sabiorkM:21143
kegg.compound:C14497
keggC:C14497
XSEGWEUVSZRCBC-ZVBLRVHNSA-N
6beta-Hydroxytestosterone
6beta,17beta-Dihydroxyandrost-4-en-3-one

SLM:000485344
slm:000485344
XSEGWEUVSZRCBC-ZVBLRVHNSA-N
6beta-hydroxytestosterone

lipidmaps:LMST02020054
lipidmapsM:LMST02020054
XSEGWEUVSZRCBC-ZVBLRVHNSA-N
6beta-hydroxytestosterone
6beta,17beta-dihydroxyandrost-4-en-3-one
O3
ST 19:2

hmdb:HMDB06259
chebi:63819
biggM:M_6htststerone
keggC:M_C14497
seedM:M_cpd10196
vmhM:M_6htststerone
secondary/obsolete/fantasy identifier