Structure Database (LMSD)
Common Name
5-hydroxypentanoyl-CoA
Systematic Name
3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-4-{[3-({2-[(5-hydroxypentanoyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate}
Synonyms
- 5-hydroxypentanoyl-coenzyme A
- 5-hydroxyvaleryl-CoA
- 5-hydroxyvaleryl-coenzyme A
- delta-hydroxypentanoyl-CoA
- delta-hydroxypentanoyl-coenzyme A
- delta-hydroxyvaleryl-CoA
- delta-hydroxyvaleryl-coenzyme A
- omega-hydroxypentanoyl-CoA
- omega-hydroxypentanoylcoenzyme A
- omega-hydroxyvaleryl-CoA
- omega-hydroxyvaleryl-coenzyme A
LM ID
LMFA07050269
Formula
Exact Mass
Calculate m/z
867.167649
Sum Composition
Status
Active
3D model of 5-hydroxypentanoyl-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)
AMSWDUXCNHIVFP-ZMHDXICWSA-N
InChi (Click to copy)
InChI=1S/C26H44N7O18P3S/c1-26(2,21(38)24(39)29-7-6-16(35)28-8-10-55-17(36)5-3-4-9-34)12-48-54(45,46)51-53(43,44)47-11-15-20(50-52(40,41)42)19(37)25(49-15)33-14-32-18-22(27)30-13-31-23(18)33/h13-15,19-21,25,34,37-38H,3-12H2,1-2H3,(H,28,35)(H,29,39)(H,43,44)(H,45,46)(H2,27,30,31)(H2,40,41,42)/t15-,19-,20-,21+,25-/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(CCCCO)=O)C)O1)N1C=NC2C(N)=NC=NC1=2
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
55
Rings
3
Aromatic Rings
2
Rotatable Bonds
24
Van der Waals Molecular Volume
694.22
Topological Polar Surface Area
385.93
Hydrogen Bond Donors
10
Hydrogen Bond Acceptors
22
logP
2.36
Molar Refractivity
192.47
Admin
Created at
-
Updated at
25th Apr 2022