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

Properties

Image

Occurences in reactions

MNX_ID

MNXM730815

	#reac
in my sandbox	0
in MNXref (generic)	6
in models (compartimentalized)	7

formula

C₂₁H₃₂O₂

charge

mass

316.24023

reference

chebi:28453

InChIKey

RWBRUCCWZPSBFC-RXRZZTMXSA-N

InChI

InChI=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

SMILES

C[C@H](O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:28453 chebi:28453	(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	(20S)-20-hydroxypregn-4-en-3-one
lipidmaps:LMST02030169 lipidmapsM:LMST02030169	(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
kegg.compound:C04042 keggC:C04042	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	20alpha-Hydroxy-4-pregnen-3-one 20alpha-Hydroxypregn-4-en-3-one 20alpha-Hydroxyprogesterone
bigg.metabolite:aprgstrn biggM:aprgstrn	20alpha-Hydroxyprogesterone
metacyc.compound:CPD-23966 metacycM:CPD-23966	20alpha-dihydroprogesterone (20S)-20-hydroxypregn-4-en-3-one 20alpha-hydroxy-4-pregnen-3-one 20alpha-hydroxypregn-4-en-3-one 20alpha-hydroxyprogesterone dihydroprogesterone
chebi:1295 chebi:19800 chebi:387 biggM:M_aprgstrn keggC:M_C04042	secondary/obsolete/fantasy identifier