Structure Database (LMSD)
Common Name
ent-Copalyl diphosphate
Systematic Name
Synonyms
3D model of ent-Copalyl 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)
JCAIWDXKLCEQEO-PGHZQYBFSA-N
InChi (Click to copy)
InChI=1S/C20H36O7P2/c1-15(11-14-26-29(24,25)27-28(21,22)23)7-9-17-16(2)8-10-18-19(3,4)12-6-13-20(17,18)5/h11,17-18H,2,6-10,12-14H2,1,3-5H3,(H,24,25)(H2,21,22,23)/b15-11+/t17-,18-,20+/m1/s1
SMILES (Click to copy)
[C@@]12(C)CCCC(C)(C)[C@@]1([H])CCC(=C)[C@H]2CC/C(/C)=C/COP(=O)(O)OP(=O)(O)O
References
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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Created at
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Updated at
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