MetaCyc Compound: dexamethasone

Superclasses: a steroid

Chemical Formula: C22H29O5F

Molecular Weight: 392.47 Daltons

Monoisotopic Molecular Weight: 392.19990224139997 Daltons

dexamethasone compound structure

SMILES: CC1(C[CH]2(C(C)(C(O)(C(=O)CO)1)CC(O)C3(F)([CH]2CCC4(C(C)3C=CC(=O)C=4))))

InChI: InChI=1S/C22H29FO5/c1-12-8-16-15-5-4-13-9-14(25)6-7-19(13,2)21(15,23)17(26)10-20(16,3)22(12,28)18(27)11-24/h6-7,9,12,15-17,24,26,28H,4-5,8,10-11H2,1-3H3/t12-,15+,16+,17+,19+,20+,21+,22+/m1/s1


Unification Links: ChEBI:41879, ChemSpider:5541, DrugBank:DB01234, HMDB:HMDB15364, KEGG:C15643, PubChem:5743

Standard Gibbs Free Energy of Change Formation (ΔfG in kcal/mol): 169.16249Inferred by computational analysis [Latendresse13]

Reactions known to consume the compound:

Not in pathways:
a steroid + 2 a reduced adrenodoxin + oxygen + 2 H+ → an 11-β-hydroxysteroid + 2 an oxidized adrenodoxin + H2O


Chiang08: Chiang YR, Ismail W, Heintz D, Schaeffer C, Van Dorsselaer A, Fuchs G (2008). "Study of anoxic and oxic cholesterol metabolism by Sterolibacterium denitrificans." J Bacteriol 190(3);905-14. PMID: 18039763

Latendresse13: Latendresse M. (2013). "Computing Gibbs Free Energy of Compounds and Reactions in MetaCyc."

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Please cite the following article in publications resulting from the use of MetaCyc: Caspi et al, Nucleic Acids Research 42:D459-D471 2014
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