Structure Database (LMSD)
Common Name
5E-tetradecenoyl-CoA
Systematic Name
5E-tetradecenoyl-CoA
Synonyms
LM ID
LMFA07050493
Formula
Exact Mass
Calculate m/z
975.297934
Sum Composition
Status
Active
3D model of 5E-tetradecenoyl-CoA
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
String Representations
InChiKey (Click to copy)
MRVDZOHJMLTLHJ-MCZZQJTKSA-N
InChi (Click to copy)
InChI=1S/C35H60N7O17P3S/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/h11-12,22-24,28-30,34,45-46H,4-10,13-21H2,1-3H3,(H,37,43)(H,38,47)(H,51,52)(H,53,54)(H2,36,39,40)(H2,48,49,50)/b12-11+/t24-,28-,29-,30+,34-/m1/s1
SMILES (Click to copy)
C(SCCNC(=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)(CCC/C=C/CCCCCCCC)=O
References
Taxonomy Information
Curated from
NCBI taxonomy class
Reference
Rattus norvegicus
(#10116)
Mammalia
(#40674)
Leaky beta-oxidation of a trans-fatty acid: incomplete beta-oxidation of elaidic acid is due to the accumulation of 5-trans-tetradecenoyl-CoA and its hydrolysis and conversion to 5-trans-tetradecenoylcarnitine in the matrix of rat mitochondria.,
J Biol Chem, 2004
J Biol Chem, 2004
Pubmed ID:
15466478
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
63
Rings
3
Aromatic Rings
2
Rotatable Bonds
31
Van der Waals Molecular Volume
838.49
Topological Polar Surface Area
365.70
Hydrogen Bond Donors
9
Hydrogen Bond Acceptors
24
logP
6.39
Molar Refractivity
232.03
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.
Click on an edge to display the reaction(s).
Admin
Created at
13th Nov 2023
Updated at
12th Sep 2024