Metabolic Modeling Tutorial
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Metabolic Modeling Tutorial
discounted EARLY registration ends Dec 31, 2014
BioCyc websites down
12/28 - 12/31
for maintenance.
Metabolic Modeling Tutorial
discounted EARLY registration ends Dec 31, 2014
BioCyc websites down
12/28 - 12/31
for maintenance.
Metabolic Modeling Tutorial
discounted EARLY registration ends Dec 31, 2014
BioCyc websites down
12/28 - 12/31
for maintenance.
Metabolic Modeling Tutorial
discounted EARLY registration ends Dec 31, 2014
BioCyc websites down
12/28 - 12/31
for maintenance.
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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:

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

Not in pathways:
a prohormone + H2O → a hormone

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 Sat Dec 20, 2014, biocyc13.