Structure Database (LMSD)
Common Name
terpentedienyl diphosphate
Systematic Name
(2E)-3-methyl-5-[(1R,2R,4aS,8aS)-1,2,4a,5-tetramethyl-1,2,3,4,4a,7,8,8a-octahydronaphthalen-1-yl]pent-2-en-1-yl trihydrogen diphosphate
Synonyms
3D model of terpentedienyl diphosphate
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Main
Classification
Category
Main Class
Sub Class
Level 4 Class
String Representations
InChiKey (Click to copy)
LKJRXYMJDDAXEN-LENLPTBCSA-N
InChi (Click to copy)
InChI=1S/C20H36O7P2/c1-15(11-14-26-29(24,25)27-28(21,22)23)9-12-19(4)17(3)10-13-20(5)16(2)7-6-8-18(19)20/h7,11,17-18H,6,8-10,12-14H2,1-5H3,(H,24,25)(H2,21,22,23)/b15-11+/t17-,18+,19-,20-/m1/s1
SMILES (Click to copy)
[C@@]12([H])[C@](C)(CC[C@@H](C)[C@@]1(C)CC/C(/C)=C/COP(O)(OP(O)(O)=O)=O)C(C)=CCC2
References
Taxonomy Information
Curated from
NCBI taxonomy class
Reference
unclassified Kitasatospora
(#2633591)
Actinomycetia
(#1760)
Functional analysis of eubacterial diterpene cyclases responsible for biosynthesis of a diterpene antibiotic, terpentecin.,
J Biol Chem, 2002
J Biol Chem, 2002
Pubmed ID:
12138123
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
29
Rings
2
Aromatic Rings
0
Rotatable Bonds
8
Van der Waals Molecular Volume
425.75
Topological Polar Surface Area
113.29
Hydrogen Bond Donors
3
Hydrogen Bond Acceptors
7
logP
6.53
Molar Refractivity
113.07
Reactions
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Reactions are shown if the E.C. number of the enzyme catalysing it is annotated in the UniProt database for a species belonging to the selected taxonomic class.
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Updated at
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