Metabolic Modeling Tutorial
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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
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MetaCyc Compound: 26-hydroxycastasterone

Superclasses: a hormone a plant hormone a brassinosteroids
a hormone a steroid hormone a brassinosteroids
a steroid a steroid hormone a brassinosteroids

Citations: [Turk03]

Chemical Formula: C28H48O6

Molecular Weight: 480.68 Daltons

Monoisotopic Molecular Weight: 480.3450892734 Daltons

SMILES: CC(C(C(C(C(C2(C3(CCC4(C1(CC(C(C[CH]1C(CC(C(CC2)3)4)=O)O)O)C))(C)))C)O)O)C)CO

InChI: InChI=1S/C28H48O6/c1-14(13-29)15(2)25(33)26(34)16(3)18-6-7-19-17-10-22(30)21-11-23(31)24(32)12-28(21,5)20(17)8-9-27(18,19)4/h14-21,23-26,29,31-34H,6-13H2,1-5H3/t14?,15-,16-,17?,18?,19?,20?,21+,23-,24+,25+,26+,27+,28+/m0/s1

InChIKey: InChIKey=GIHKVCBPOTYEGP-WPXWDAEZSA-N

Unification Links: PubChem:46926212

Standard Gibbs Free Energy of Change Formation (ΔfG in kcal/mol): 303.5838 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

Reactions known to produce the compound:

Not in pathways:
a prohormone + H2O → a hormone

In Reactions of unknown directionality:

brassinosteroids inactivation :
castasterone + a reduced electron acceptor + oxygen = 26-hydroxycastasterone + an oxidized electron acceptor + H2O

Credits:
Created 15-Jul-2010 by Zhang P , TAIR


References

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

Turk03: Turk EM, Fujioka S, Seto H, Shimada Y, Takatsuto S, Yoshida S, Denzel MA, Torres QI, Neff MM (2003). "CYP72B1 inactivates brassinosteroid hormones: an intersection between photomorphogenesis and plant steroid signal transduction." Plant Physiol 133(4);1643-53. PMID: 14605216


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 Fri Nov 28, 2014, BIOCYC14B.