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): 169.16249 Inferred 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


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

Report Errors or Provide Feedback
Please cite the following article in publications resulting from the use of MetaCyc: Caspi et al, Nucleic Acids Research 42:D459-D471 2014
Page generated by SRI International Pathway Tools version 19.0 on Mon Oct 5, 2015, BIOCYC14A.