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(20S)-hydroxypregn-4-en-3-one

PropertiesImage
MNX_IDMNXM1368190 Image of MNXM1368190
referencechebi:28453
formulaC21H32O2
global charge0
mol weight316.485
InChIKeyRWBRUCCWZPSBFC-RXRZZTMXSA-N
InChIInChI=1S/C21H32O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h12-13,16-19,22H,4-11H2,1-3H3/t13-,16-,17+,18-,19-,20-,21+/m0/s1
SMILESC[C@H](O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C
MNX internals
InChI (mnx)InChI=1/C21H32O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h12-13,16-19,22H,4-11H2,1-3H3/t13-,16-,17+,18-,19-,20-,21+/m0/s1 Image of MNXM1368190
SMILES (mnx)[CH3:1][C@@H:13]([C@H:17]1[CH2:6][CH2:7][C@H:18]2[C@@H:16]3[CH2:5][CH2:4][C:14]4=[CH:12][C:15](=[O:23])[CH2:8][CH2:10][C@:20]4([CH3:2])[C@H:19]3[CH2:9][CH2:11][C@:21]12[CH3:3])[OH:22]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)6
in models (compartimentalized) 7
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:28453
chebi:28453
RWBRUCCWZPSBFC-RXRZZTMXSA-N 		(20S)-hydroxypregn-4-en-3-one
(20S)-20-hydroxypregn-4-en-3-one
(S)-20-Hydroxypregn-4-en-3-one
20alpha-Hydroxy-4-pregnen-3-one
20alpha-Hydroxypregn-4-en-3-one
20alpha-Hydroxyprogesterone
20alpha-dihydroprogesterone
dihydroprogesterone

SLM:000390127
slm:000390127
RWBRUCCWZPSBFC-RXRZZTMXSA-N 		(20S)-20-hydroxypregn-4-en-3-one

vmhM:aprgstrn
vmhmetabolite:aprgstrn
RWBRUCCWZPSBFC-RXRZZTMXSA-N 		(20S)-20-hydroxypregn-4-en-3-one
(1S,2R,10S,11S,14S,15S)-14-[(1S)-1-hydroxyethyl]-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-6-en-5-one

lipidmaps:LMST02030169
lipidmapsM:LMST02030169
RWBRUCCWZPSBFC-RXRZZTMXSA-N 		(20S)-20-hydroxypregn-4-en-3-one
(20S)-20-hydroxypregn-4-en-3-one
(S)-20-Hydroxypregn-4-en-3-one
20alpha-Hydroxy-4-pregnen-3-one
20alpha-Hydroxypregn-4-en-3-one
20alpha-Hydroxyprogesterone
20alpha-dihydroprogesterone
O2
ST 21:2
dihydroprogesterone

seed.compound:cpd02462
seedM:cpd02462
RWBRUCCWZPSBFC-RXRZZTMXSA-N 		(S)-20-Hydroxypregn-4-en-3-one
20alpha-Hydroxy-4-pregnen-3-one
20alpha-Hydroxypregn-4-en-3-one
20alpha-Hydroxyprogesterone
hmdb:HMDB0003069
RWBRUCCWZPSBFC-RXRZZTMXSA-N 		20alpha-Dihydroprogesterone
(1S,2R,10S,11S,14S,15S)-14-[(1S)-1-hydroxyethyl]-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-6-en-5-one
(20S)-20-Hydroxypregn-4-en-3-one
(20S)-Hydroxypregn-4-en-3-one
(S)-20-Hydroxypregn-4-en-3-one
20 alpha Dihydroprogesterone
20 alpha Hydroxy 4 pregnen 3 one
20 alpha Hydroxyprogesterone
20 alpha-Dihydroprogesterone
20 alpha-Hydroxy-4-pregnen-3-one
20 alpha-Hydroxyprogesterone
20(S)-Hydroxyprogesterone
20-Hydroxypregn-4-en-3-one
20-alpha-Dihydroprogesterone
20-alpha-Hydroxy- pregn-4-en-3-one
20-alpha-Hydroxyprogesterone
20a-Dihydroprogesterone
20a-Hydroxy-4-pregnen-3-one
20a-Hydroxypregn-4-en-3-one
20a-Hydroxyprogesterone
20alpha Hydroxypregn 4 ene 3 one
20alpha-Hydroxy-4-pregnen-3-one
20alpha-Hydroxy-delta4-pregnen-3-one
20alpha-Hydroxydihydroprogesterone
20alpha-Hydroxypregn-4-en-3-one
20alpha-Hydroxypregn-4-ene-3-one
20alpha-Hydroxyprogesterone
20alpha-Progerol
20alpha-dihydroprogesterone
20alpha-hydroxy-4-pregnen-3-one
20alpha-hydroxy-delta4-pregnen-3-one
20alpha-hydroxydihydroprogesterone
20alpha-hydroxypregn-4-en-3-one
20alpha-hydroxyprogesterone
20alpha-progerol
4-Pregnen-3-one-20alpha-ol
Dihydroprogesterone
Pregn 4 en 3 one, 20 alpha hydroxy
Pregn-4-en-20alpha-ol-3-one
Pregn-4-ene-20alpha-ol-3-one
Progesterol-20alpha
delta4-Pregnen-20alpha-ol-3-one
delta4-Pregnene-20alpha-ol-3-one
delta4-pregnen-20alpha-ol-3-one
delta4-pregnene-20alpha-ol-3-one

kegg.compound:C04042
keggC:C04042
RWBRUCCWZPSBFC-RXRZZTMXSA-N 		20alpha-Hydroxy-4-pregnen-3-one
(S)-20-Hydroxypregn-4-en-3-one
20alpha-Hydroxypregn-4-en-3-one
20alpha-Hydroxyprogesterone

sabiork.compound:7036
sabiorkM:7036
RWBRUCCWZPSBFC-RXRZZTMXSA-N 		20alpha-Hydroxy-4-pregnen-3-one
20alpha-Hydroxypregn-4-en-3-one
20alpha-Hydroxyprogesterone

bigg.metabolite:aprgstrn
biggM:aprgstrn
RWBRUCCWZPSBFC-RXRZZTMXSA-N 		20alpha-Hydroxyprogesterone

metacyc.compound:CPD-23966
metacycM:CPD-23966
RWBRUCCWZPSBFC-RXRZZTMXSA-N 		20alpha-dihydroprogesterone
(20S)-20-hydroxypregn-4-en-3-one
20alpha-hydroxy-4-pregnen-3-one
20alpha-hydroxypregn-4-en-3-one
20alpha-hydroxyprogesterone
dihydroprogesterone

hmdb:HMDB03069
chebi:1295
chebi:19800
chebi:387
biggM:M_aprgstrn
keggC:M_C04042
seedM:M_cpd02462
vmhM:M_aprgstrn 		secondary/obsolete/fantasy identifier