Basic information
- CAS
604-98-8- Standard SMILES
CC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)CCC(=O)O- InChIKey
VNOYUJKHFWYWIR-ITIYDSSPSA-N- Molecular formula
- C25H40N7O19P3S
- Average molar mass
- 867.6 g/mol
- Monoisotopic mass
- 867.13125295
Overview
Succinyl-CoA is an -carboxyacyl-CoA having succinoyl as the S-acyl component. It has a role as an inhibitor, a mouse metabolite and an Escherichia coli metabolite. It is functionally related to a coenzyme A. It is a conjugate acid of a succinyl-CoA(5-).
Names & identifiers
- Preferred name
- Succinyl CoA
- IUPAC
- 4-[2-[3-[[(2R)-4-[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethylsulfanyl]-4-oxobutanoic acid
- English name
- S-(hydrogen succinyl)coenzyme A
- Molecular formula
- C25H40N7O19P3S
- Molecular weight
- 867.61
Names & synonyms
succinyl-CoASuccinyl-coenzyme ASuccinyl CoA604-98-8Coenzyme A, S-(hydrogen butanedioate)coenzyme A, succinyl-BSI27HW5EQS-(hydrogen succinyl)-CoAS-(3-carboxy-propionyl)-CoAS-(3-carboxypropionyl)-coenzyme-AS-(3-Carboxy-propionyl)-coenzym-ACHEBI:15380
Show more names
Coenzyme A Impurity 5 MonomerS-(hydrogen succinyl)coenzyme ACoenzyme A derivative impurity 17Coenzyme A S-(hydrogen butanedioate)Coenzyme A Impurity 5 Monomer （Succinyl Coenzyme A Monomer)Adenosine 3'-phosphoric acid 5'-[diphosphoric acid β-[4-[[3-[[2-[(3-carboxypropanoyl)thio]ethyl]amino]-3-oxopropyl]amino]-4-oxo-3-hydroxy-2,2-dimethylbutyl]] esterAdenosine 3'-phosphoric acid 5'-[diphosphoric acid P2-[2,2-dimethyl-3-hydroxy-3-[[2-[[2-(1,4-dioxo-4-hydroxybutylthio)ethyl]aminocarbonyl]ethyl]aminocarbonyl]propyl]] ester3-[2-[3-[[4-[[[5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxy-2-hydroxy-3,3-dimethyl-butanoyl]amino]propanoylamino]ethylsulfanylcarbonyl]propanoic acid
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}4-[2-[3-[[(2R)-4-[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethylsulfanyl]-4-oxobutanoic acid3'-phosphoadenosine 5'-(3-((3R)-4-((3-((2-((3-carboxypropanoyl)sulfanyl)ethyl)amino)-3-oxopropyl)amino)-3-hydroxy-2,2-dimethyl-4-oxobutyl) dihydrogen diphosphate)4-(2-(3-(((2R)-4-((((2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl)methoxy-hydroxyphosphoryl)oxy-hydroxyphosphoryl)oxy-2-hydroxy-3,3-dimethylbutanoyl)amino)propanoylamino)ethylsulfanyl)-4-oxobutanoic acidRefChem:8894234-((2-(3-(3-((((((((2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)oxolan-2-yl)methoxy)(hydroxy)phosphoryl)oxy)(hydroxy)phosphoryl)oxy)methyl)-2-hydroxy-3-methylbutanamido)propanamido)ethyl)sulfanyl)-4-oxobutanoic acidSuccinyl coenzyme AS-Succinoylcoenzyme A
Database identifiers
- CAS
604-98-8- PubChem CID
- 92133
- DTXSID
DTXSID40975809- ChEMBL
CHEMBL2338332- ChEBI
CHEBI:15380- UNII
- BSI27HW5EQ
- EC Number
- 210-079-5
- Nikkaji
- J514.350K
Properties
Computed structural properties
- XLogP
- -6.2
- Topological polar surface area
- 426 Ų
- Hydrogen bond donors
- 10
- Hydrogen bond acceptors
- 24
- Rotatable bonds
- 23
- Heavy atoms
- 55
- Formal charge
- 0
- Complexity
- 1,510
Experimental & physicochemical properties
DrugsPharmaceuticals -> Listed in ZINC15
LipidsFatty Acyls [FA] -> Fatty esters [FA07] -> Fatty acyl CoAs [FA0705]
Physical DescriptionSolid
Physicochemical properties
- Density
- 1.91 · 1.91±0.1 g/cm3(Predicted)
- pka
- 1.16 · 1.16±0.50(Predicted)
- FDA UNII
- 27 HW5EQ · BSI27HW5EQ
Chemistry & industry
Pharmacology
Tissue LocationsSkeletal Muscle
Cellular LocationsExtracellular
Metabolite Pathways2-ketoglutarate dehydrogenase complex deficiency
Applications
UsesSuccinyl CoA is an intermediate of the citric acid cycle. Succinyl CoA can be converted to succinic acid and can also combines with glycine to form δ-amino levulinic acid (ALA) to synthesize porphyrins (heme). Succinyl CoA can be used in the study of metabolic, neurological and haematological abnormalities (such as porphyrias) caused by nutritional vitamin B12 deficiency (resulting in a deficiency in Succinyl CoA synthesis)[1][2].
Suppliers6 total
南京政琦科技有限公司19853943728 19853943728 · [email protected]
湖北扬信医药科技有限公司15374522761 · [email protected]
河南阿尔法化工有限公司0371-55051623 18137891487 · [email protected]
河南伊诺凯新材料有限公司15565215982 15565215982 · [email protected]
上海贝万塔生物科技有限公司021-67187366 19901745723 · [email protected]
上海楷森生物科技有限公司17558870519 · [email protected]
Additional notes
DefinitionChEBI: An omega-carboxyacyl-CoA having succinoyl as the S-acyl component.
Related reactions
2 records
Compound notes
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