Structure Database (LMSD)
Common Name
Succinyl-CoA
Systematic Name
3'-phosphoadenosine 5'-{3-[(3R)-4-{[3-({2-[(3-carboxypropanoyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-3-hydroxy-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate}
Synonyms
- Coenzyme A, S-(hydrogen butanedioate)
- S-(3-Carboxy-propionyl)-coenzym-A
- S-(3-carboxy-propionyl)-CoA
- S-(3-carboxypropionyl)-coenzyme-A
- S-(Hydrogen succinyl)coenzyme A
- S-(hydrogen succinyl)-CoA
- Succinyl-coenzyme A
- succinyl-CoA
LM ID
LMFA07050370
Formula
Exact Mass
Calculate m/z
867.131264
Sum Composition
Status
Active
3D model of Succinyl-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)
VNOYUJKHFWYWIR-ITIYDSSPSA-N
InChi (Click to copy)
InChI=1S/C25H40N7O19P3S/c1-25(2,20(38)23(39)28-6-5-14(33)27-7-8-55-16(36)4-3-15(34)35)10-48-54(45,46)51-53(43,44)47-9-13-19(50-52(40,41)42)18(37)24(49-13)32-12-31-17-21(26)29-11-30-22(17)32/h11-13,18-20,24,37-38H,3-10H2,1-2H3,(H,27,33)(H,28,39)(H,34,35)(H,43,44)(H,45,46)(H2,26,29,30)(H2,40,41,42)/t13-,18-,19-,20+,24-/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(CCC(O)=O)=O)C)O1)N1C=NC2C(N)=NC=NC1=2
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
55
Rings
3
Aromatic Rings
2
Rotatable Bonds
23
Van der Waals Molecular Volume
683.07
Topological Polar Surface Area
403.00
Hydrogen Bond Donors
10
Hydrogen Bond Acceptors
23
logP
1.78
Molar Refractivity
187.92
Admin
Created at
-
Updated at
25th Apr 2022