Metabolic Modeling Tutorial
discounted EARLY registration ends Dec 31, 2014
Metabolic Modeling Tutorial
discounted EARLY registration ends Dec 31, 2014
Metabolic Modeling Tutorial
discounted EARLY registration ends Dec 31, 2014
Metabolic Modeling Tutorial
discounted EARLY registration ends Dec 31, 2014
Metabolic Modeling Tutorial
discounted EARLY registration ends Dec 31, 2014
twitter

MetaCyc Compound: vitamin D2

Synonyms: ergocalciferol

Chemical Formula: C28H44O

Molecular Weight: 396.66 Daltons

Monoisotopic Molecular Weight: 396.3392160345 Daltons

SMILES: CC(C)C(C)C=CC(C)C3(CCC2(C(=CC=C1(CC(O)CCC(=C)1))CCCC(C)23))

InChI: InChI=1S/C28H44O/c1-19(2)20(3)9-10-22(5)26-15-16-27-23(8-7-17-28(26,27)6)12-13-24-18-25(29)14-11-21(24)4/h9-10,12-13,19-20,22,25-27,29H,4,7-8,11,14-18H2,1-3,5-6H3/b10-9+,23-12+,24-13-/t20-,22+,25-,26?,27?,28+/m0/s1

InChIKey: InChIKey=MECHNRXZTMCUDQ-DAZNFBTHSA-N

Unification Links: CAS:50-14-6 , ChemSpider:4474626 , HMDB:HMDB00900 , PubChem:5315257

Standard Gibbs Free Energy of Change Formation (ΔfG in kcal/mol): 489.6793 Inferred by computational analysis [Latendresse13]

Reactions known to produce the compound:

Not in pathways:
ergosterol + UV light → vitamin D2

Enzymes inhibited by vitamin D2, sorted by the type of inhibition, are:

Inhibitor (Mechanism unknown) of: calcitriol 24-hydroxylase [Ohyama91]


References

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

Ohyama91: Ohyama Y, Okuda K (1991). "Isolation and characterization of a cytochrome P-450 from rat kidney mitochondria that catalyzes the 24-hydroxylation of 25-hydroxyvitamin D3." J Biol Chem 266(14);8690-5. PMID: 2026586


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 18.5 on Wed Nov 26, 2014, BIOCYC13B.