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

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cortisone

	Properties	Image
MNX_ID	MNXM731048
reference	chebi:16962
formula	C₂₁H₂₈O₅
global charge	0
mol weight	360.45
InChIKey	MFYSYFVPBJMHGN-ZPOLXVRWSA-N
InChI	InChI=1S/C21H28O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h9,14-15,18,22,26H,3-8,10-11H2,1-2H3/t14-,15-,18+,19-,20-,21-/m0/s1
SMILES	C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2C(=O)C[C@@]2(C)[C@H]1CC[C@]2(O)C(=O)CO

MNX internals

InChI (mnx)	InChI=1/C21H28O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h9,14-15,18,22,26H,3-8,10-11H2,1-2H3/t14-,15-,18+,19-,20-,21-/m0/s1
SMILES (mnx)	[CH3:1][C@:19]12[CH2:7][CH2:5][C:13](=[O:23])[CH:9]=[C:12]1[CH2:3][CH2:4][C@H:14]1[C@@H:15]3[CH2:6][CH2:8][C@@:21]([C:17]([CH2:11][OH:22])=[O:25])([OH:26])[C@@:20]3([CH3:2])[CH2:10][C:16](=[O:24])[C@@H:18]12

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	10
in models (compartimentalized)	12

Similar chemical compounds in external resources
Identifier	Description
reactome:R-ALL-194035 reactomeM:R-ALL-194035 reactome:R-ALL-9757310 reactomeM:R-ALL-9757310 CHEBI:16962 chebi:16962 MFYSYFVPBJMHGN-ZPOLXVRWSA-N	cortisone 11-dehydro-17-hydroxycorticosterone 17,21-dihydroxypregn-4-ene-3,11,20-trione 17-hydroxy-11-dehydrocorticosterone 17alpha,21-Dihydroxy-4-pregnene-3,11,20-trione 17alpha,21-dihydroxy-4-pregnene-3,11,20-trione 4-pregnene-17alpha,21-diol-3,11,20-trione Cortison Cortisone Delta(4)-pregnene-17alpha,21-diol-3,11,20-trione Kendall's compound E Kortison Reichstein's substance Fa Wintersteiner's compound F pregn-4-en-17alpha,21-diol-3,11,20-trione
kegg.drug:D07749 keggD:D07749 MFYSYFVPBJMHGN-ZPOLXVRWSA-N	Cortisone (INN) Cortisone (TN)
hmdb:HMDB0002802 MFYSYFVPBJMHGN-ZPOLXVRWSA-N	Cortisone (1S,2R,10S,11S,14R,15S)-14-hydroxy-14-(2-hydroxyacetyl)-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-6-ene-5,17-dione 11-Dehydro-17-hydroxycorticosterone 17-Hydroxy-11-dehydrocorticosterone 17-Hydroxy-3,11,20-trioxopregn-4-en-21-yl acetate 17a,21-Dihydroxy-4-pregnene-3,11,20-trione 17alpha,21-Dihydroxy-4-pregnene-3,11,20-trione 17alpha,21-dihydroxy-4-pregnene-3,11,20-trione 4-Pregnene-17a,21-diol-3,11,20-trione 4-Pregnene-17alpha,21-diol-3,11,20-trione Adreson Andreson Anusol HC Balneol-HC Colocort Compound e Corlin Cortadren Cortandren Cortef Cortef acetate Cortisal Cortisate Cortison Cortisone acetate Cortistal Cortivite Cortogen Cortone Cortone acetate Cortril Delta(4)-Pregnene-17alpha,21-diol-3,11,20-trione Dermacort Dricort Flexicort Florinef Fludrocortisone acetate Glycort Hemsol-HC Hi-cor Incortin Kendall'S compound Kendall's compound e Kortison Locoid Locoid lipocream Micort-HC Nogenic HC Orabase hca Pandel Pregn-4-en-17a,21-diol-3,11,20-trione Pregn-4-en-17alpha,21-diol-3,11,20-trione Prestwick_132 Reichstein fa Reichstein's substance fa Scheroson Solu-cortef Stie-cort Texacort Westcort Wintersteiner's compound F beta-HC delta(4)-Pregnene-17a,21-diol-3,11,20-trione delta(4)-pregnene-17a,21-diol-3,11,20-trione delta(4)-pregnene-17alpha,21-diol-3,11,20-trione
sabiork.compound:5220 sabiorkM:5220 kegg.compound:C00762 keggC:C00762 MFYSYFVPBJMHGN-ZPOLXVRWSA-N	Cortisone 17alpha,21-Dihydroxy-4-pregnene-3,11,20-trione Kendall's compound E Reichstein's substance Fa
seed.compound:cpd00566 seedM:cpd00566 MFYSYFVPBJMHGN-ZPOLXVRWSA-N	Cortisone 17alpha,21-Dihydroxy-4-pregnene-3,11,20-trione Kendall's compound E Reichstein's substance Fa adreson cortisone tetrahydrocortisone
lipidmaps:LMST02030090 lipidmapsM:LMST02030090 MFYSYFVPBJMHGN-ZPOLXVRWSA-N	Cortisone 17alpha,21-dihydroxypregn-4-ene-3,11,20-trione O5 ST 21:4
bigg.metabolite:cortsn biggM:cortsn MFYSYFVPBJMHGN-ZPOLXVRWSA-N	Cortsn
SLM:000485357 slm:000485357 MFYSYFVPBJMHGN-ZPOLXVRWSA-N	cortisone
vmhM:cortsn vmhmetabolite:cortsn MFYSYFVPBJMHGN-ZPOLXVRWSA-N	cortisone (1S,2R,10S,11S,14R,15S)-14-hydroxy-14-(2-hydroxyacetyl)-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-6-ene-5,17-dione
metacyc.compound:CORTISONE metacycM:CORTISONE MFYSYFVPBJMHGN-ZPOLXVRWSA-N	cortisone adreson tetrahydrocortisone
hmdb:HMDB02802 chebi:14026 chebi:23397 chebi:3896 biggM:M_cortsn keggC:M_C00762 keggD:M_D07749 seedM:M_cpd00566 vmhM:M_cortsn	secondary/obsolete/fantasy identifier