MetaNetX
Automated Model Construction and Genome Annotation for Large-Scale Metabolic Networks

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21-hydroxyprogesterone

	Properties	Image
MNX_ID	MNXM730534
reference	chebi:16973
formula	C₂₁H₃₀O₃
global charge	0
mol weight	330.468
InChIKey	ZESRJSPZRDMNHY-YFWFAHHUSA-N
InChI	InChI=1S/C21H30O3/c1-20-9-7-14(23)11-13(20)3-4-15-16-5-6-18(19(24)12-22)21(16,2)10-8-17(15)20/h11,15-18,22H,3-10,12H2,1-2H3/t15-,16-,17-,18+,20-,21-/m0/s1
SMILES	C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2C(=O)CO

MNX internals

InChI (mnx)	InChI=1/C21H30O3/c1-20-9-7-14(23)11-13(20)3-4-15-16-5-6-18(19(24)12-22)21(16,2)10-8-17(15)20/h11,15-18,22H,3-10,12H2,1-2H3/t15-,16-,17-,18+,20-,21-/m0/s1
SMILES (mnx)	[CH3:1][C@:20]12[CH2:9][CH2:7][C:14](=[O:23])[CH:11]=[C:13]1[CH2:3][CH2:4][C@H:15]1[C@@H:16]3[CH2:5][CH2:6][C@H:18]([C:19]([CH2:12][OH:22])=[O:24])[C@@:21]3([CH3:2])[CH2:10][CH2:8][C@@H:17]12

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	27
in models (compartimentalized)	15

Similar chemical compounds in external resources
Identifier	Description
reactome:R-ALL-1449656 reactomeM:R-ALL-1449656 reactome:R-ALL-193988 reactomeM:R-ALL-193988 reactome:R-ALL-194037 reactomeM:R-ALL-194037 reactome:R-ALL-9035334 reactomeM:R-ALL-9035334 CHEBI:16973 chebi:16973 ZESRJSPZRDMNHY-YFWFAHHUSA-N	21-hydroxyprogesterone 11-Deoxycorticosterone 11-deoxycorticosterone 21-Hydroxy-4-pregnene-3,20-dione 21-hydroxypregn-4-ene-3,20-dione 4-pregnen-21-ol-3,20-dione Cortexone DESOXYCORTICOSTERONE DOC Deoxycorticosterone Desoxycortone Kendall's desoxy compound B Reichstein's substance Q desoxycortone
bigg.metabolite:11docrtstrn biggM:11docrtstrn ZESRJSPZRDMNHY-YFWFAHHUSA-N	11-Deoxycorticosterone
sabiork.compound:6485 sabiorkM:6485 ZESRJSPZRDMNHY-YFWFAHHUSA-N	11-Deoxycorticosterone 21-Hydroxy-4-pregnene-3,20-dione Cortexone DOC Deoxycorticosterone
kegg.compound:C03205 keggC:C03205 ZESRJSPZRDMNHY-YFWFAHHUSA-N	11-Deoxycorticosterone 21-Hydroxy-4-pregnene-3,20-dione Cortexone DOC Deoxycorticosterone Desoxycortone
vmhM:11docrtstrn vmhmetabolite:11docrtstrn ZESRJSPZRDMNHY-YFWFAHHUSA-N	11-deoxycorticosterone (1S,2R,10S,11S,14S,15S)-14-(2-hydroxyacetyl)-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-6-en-5-one
metacyc.compound:11-DEOXYCORTICOSTERONE metacycM:11-DEOXYCORTICOSTERONE ZESRJSPZRDMNHY-YFWFAHHUSA-N	11-deoxycorticosterone 21-hydroxy-4-pregnene-3,20-dione cortexone deoxycorticosterone
lipidmaps:LMST02030087 lipidmapsM:LMST02030087 ZESRJSPZRDMNHY-YFWFAHHUSA-N	11-deoxycorticosterone 21-hydroxyProgesterone 21-hydroxypregn-4-ene-3,20-dione O3 ST 21:3
sabiork.compound:26473 sabiorkM:26473 ZESRJSPZRDMNHY-YFWFAHHUSA-N	21-Hydroxyprogesterone
SLM:000485330 slm:000485330 ZESRJSPZRDMNHY-YFWFAHHUSA-N	21-hydroxyprogesterone
seed.compound:cpd02047 seedM:cpd02047 ZESRJSPZRDMNHY-YFWFAHHUSA-N	DOC 11-Deoxycorticosterone 11-deoxycorticosterone 21-Hydroxy-4-pregnene-3,20-dione 21-hydroxy-4-pregnene-3,20-dione Cortexone Deoxycorticosterone Desoxycortone cortexone deoxycorticosterone
hmdb:HMDB0000016 ZESRJSPZRDMNHY-YFWFAHHUSA-N	Deoxycorticosterone (1S,2R,10S,11S,14S,15S)-14-(2-hydroxyacetyl)-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-6-en-5-one 11 Decorticosterone 11-Decorticosterone 11-Dehydroxycorticosterone 11-Deoxy-corticosterone 11-Deoxycorticosterone 11-Desoxycorticosterone 21 Hydroxy 4 pregnene 3,20 dione 21 Hydroxyprogesterone 21-Hydroxy-3,20-dioxopregn-4-ene 21-Hydroxy-4-pregnene-3,20-dione 21-Hydroxy-D4-pregnane-3,20-dione 21-Hydroxy-D4-pregnene-3,20-dione 21-Hydroxy-pregn-4-ene-3,20-dione 21-Hydroxy-progesterone 21-Hydroxypregn-4-ene-3,20-dione 21-Hydroxyprogesterone 4-Pregnen-21-ol-3,20-dione Cortexone D4-Pregnene-21-ol-3,20-dione DESOXYCORTICOSTERONE DOC Deoxycortone Desoxycortone Doca Kendall's desoxy compound b Reichstein's substance Q
kegg.drug:D07792 keggD:D07792 ZESRJSPZRDMNHY-YFWFAHHUSA-N	Desoxycortone (INN) Desoxycorticosterone
envipath:...9b0a0845678f envipathM:...9b0a0845678f ZESRJSPZRDMNHY-YFWFAHHUSA-N	compound 0038848
hmdb:HMDB00016 chebi:11314 chebi:19123 chebi:39642 chebi:713 chebi:86536 biggM:M_11docrtstrn keggC:M_C03205 keggD:M_D07792 seedM:M_cpd02047 vmhM:M_11docrtstrn	secondary/obsolete/fantasy identifier