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

Synonyms: halimadienyl diphosphate, halima-5,13-dien-15-yl diphosphate, tuberculosinol diphosphate

Superclasses: a lipid an isoprenoid a terpenoid a diterpenoid
a secondary metabolite a terpenoid a diterpenoid

Chemical Formula: C20H33O7P2

Molecular Weight: 447.42 Daltons

Monoisotopic Molecular Weight: 450.1936265303 Daltons

SMILES: CC(=CCOP([O-])(=O)OP([O-])(=O)[O-])CCC1(C)(C(C)CC=C2(C(C)(C)CCCC12))

InChI: InChI=1S/C20H36O7P2/c1-15(11-14-26-29(24,25)27-28(21,22)23)10-13-20(5)16(2)8-9-17-18(20)7-6-12-19(17,3)4/h9,11,16,18H,6-8,10,12-14H2,1-5H3,(H,24,25)(H2,21,22,23)/p-3/b15-11+/t16-,18?,20+/m0/s1

InChIKey: InChIKey=BPSHPRCHMGHBGC-PBLKKJIZSA-K

Unification Links: PubChem:25245347

Standard Gibbs Free Energy of Change Formation (ΔfG in kcal/mol): -61.02155 Inferred by computational analysis [Latendresse13]

Reactions known to consume the compound:

tuberculosinol biosynthesis :
tuberculosinyl diphosphate + H2O → tuberculosinol + diphosphate

Not in pathways:
tuberculosinyl diphosphate + H2O → (13R)-isotuberculosinol + diphosphate
tuberculosinyl diphosphate + H2O → (13S)-isotuberculosinol + diphosphate

linoleate biosynthesis I (plants) :
oleoyl-CoA + a lipid + H+ → a lipid oleoyl-group + coenzyme A

Reactions known to produce the compound:

tuberculosinol biosynthesis :
geranylgeranyl diphosphate → tuberculosinyl diphosphate

glutathione redox reactions I :
a lipid hydroperoxide + 2 glutathione + H+a lipid + glutathione disulfide + 2 H2O


References

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 18.5 on Sat Dec 27, 2014, biocyc11.