MetaCyc Compound: tuberculosinyl diphosphate

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

Superclasses: a lipidan isoprenoida terpenoida diterpenoid
a secondary metabolitea terpenoida diterpenoid

Chemical Formula: C20H33O7P2

Molecular Weight: 447.42 Daltons

Monoisotopic Molecular Weight: 450.1936265303 Daltons

tuberculosinyl diphosphate compound structure

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


Unification Links: PubChem:25245347

Standard Gibbs Free Energy of Change Formation (ΔfG in kcal/mol): -61.02155Inferred 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

Reactions known to produce the compound:

tuberculosinol biosynthesis :
geranylgeranyl diphosphate → tuberculosinyl diphosphate


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

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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 19.5 on Fri Nov 27, 2015, BIOCYC13B.