Structure Database (LMSD)
Common Name
cis-dec-4-enoyl-CoA
Systematic Name
3'-phosphoadenosine 5'-{3-[4-({3-[(2-{[(4Z)-dec-4-enoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-3-hydroxy-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate}
Synonyms
- 10:1(n-6)-CoA
- 4Z-decenoyl-CoA
- 4Z-decenoyl-coenzyme A
- C10:1(n-6)-CoA
- Z-dec-4-enoyl-CoA
- Z-dec-4-enoyl-coenzyme A
- cis-4-decenoyl-CoA
- cis-4-decenoyl-coenzyme A
- cis-dec-4-enoyl-coenzyme A
LM ID
LMFA07050301
Formula
Exact Mass
Calculate m/z
919.235334
Sum Composition
Status
Active
3D model of cis-dec-4-enoyl-CoA
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Classification
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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String Representations
InChiKey (Click to copy)
QTOYQSMKQWCWOX-SGUJYKCESA-N
InChi (Click to copy)
InChI=1S/C31H52N7O17P3S/c1-4-5-6-7-8-9-10-11-22(40)59-15-14-33-21(39)12-13-34-29(43)26(42)31(2,3)17-52-58(49,50)55-57(47,48)51-16-20-25(54-56(44,45)46)24(41)30(53-20)38-19-37-23-27(32)35-18-36-28(23)38/h8-9,18-20,24-26,30,41-42H,4-7,10-17H2,1-3H3,(H,33,39)(H,34,43)(H,47,48)(H,49,50)(H2,32,35,36)(H2,44,45,46)/b9-8-/t20-,24-,25-,26+,30-/m1/s1
SMILES (Click to copy)
[C@@H]1([C@H](O)[C@H](OP(=O)(O)O)[C@@H](COP(O)(=O)OP(O)(=O)OCC(C)([C@@H](O)C(=O)NCCC(=O)NCCSC(CC/C=C\CCCCC)=O)C)O1)N1C=NC2C(N)=NC=NC1=2
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
59
Rings
3
Aromatic Rings
2
Rotatable Bonds
27
Van der Waals Molecular Volume
769.29
Topological Polar Surface Area
365.70
Hydrogen Bond Donors
9
Hydrogen Bond Acceptors
21
logP
4.83
Molar Refractivity
213.56
Admin
Created at
-
Updated at
25th Apr 2022