Structure Database (LMSD)
Common Name
(3E,5Z)-tetradecadienoyl-CoA
Systematic Name
3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-({3-oxo-3-[(2-{[(3E,5Z)-tetradeca-3,5-dienoyl]sulfanyl}ethyl)amino]propyl}amino)butyl] dihydrogen diphosphate}
Synonyms
- (3E,5Z)-tetradeca-3,5-dienoyl-CoA
- (3E,5Z)-tetradeca-3,5-dienoyl-coenzyme A
- (3E,5Z)-tetradecadienoyl-coenzyme A
- 3-trans,5-cis-tetradecadienoyl-CoA
- 3-trans,5-cis-tetradecadienoyl-coenzyme A
- megatomoyl-CoA
- megatomoyl-coenzyme A
LM ID
LMFA07050113
Formula
Exact Mass
Calculate m/z
973.282284
Sum Composition
Status
Active
3D model of (3E,5Z)-tetradecadienoyl-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)
QADUDNMSWUFMGZ-ROGIYNEGSA-N
InChi (Click to copy)
InChI=1S/C35H58N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-26(44)63-19-18-37-25(43)16-17-38-33(47)30(46)35(2,3)21-56-62(53,54)59-61(51,52)55-20-24-29(58-60(48,49)50)28(45)34(57-24)42-23-41-27-31(36)39-22-40-32(27)42/h11-14,22-24,28-30,34,45-46H,4-10,15-21H2,1-3H3,(H,37,43)(H,38,47)(H,51,52)(H,53,54)(H2,36,39,40)(H2,48,49,50)/b12-11-,14-13+/t24-,28-,29-,30+,34-/m1/s1
SMILES (Click to copy)
S(CCNC(=O)CCNC([C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@@H]1[C@@H](OP(=O)(O)O)[C@@H](O)[C@@H](O1)N1C=NC2C(N)=NC=NC1=2)=O)C(C/C=C/C=C\CCCCCCCC)=O
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
63
Rings
3
Aromatic Rings
2
Rotatable Bonds
30
Van der Waals Molecular Volume
835.85
Topological Polar Surface Area
365.70
Hydrogen Bond Donors
9
Hydrogen Bond Acceptors
21
logP
6.17
Molar Refractivity
231.94
Admin
Created at
-
Updated at
25th Apr 2022