Structure Database (LMSD)

Common Name
ent-Copalyl diphosphate
Systematic Name
Synonyms
LM ID
LMPR0104030001
Formula
C20H36O7P2
Exact Mass
Calculate m/z
450.193631
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Level 4 Class
Prenol Lipids [PR]
Isoprenoids [PR01]
C20 isoprenoids (diterpenes) [PR0104]
Labdane and halimane diterpenoids [PR010403]

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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Reactions graph legend

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

Other Databases

KEGG ID
C06089
CHEBI ID
28151
PubChem CID
5280897
PDB ID
ECP

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

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Created at
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Updated at
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