S-(Hydrogensuccinyl)coenzym A
Succinyl CoA
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Grundinformationen
- 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- Summenformel
- C25H40N7O19P3S
- Durchschnittliche Molmasse
- 867,6 g/mol
- Monoisotopische Masse
- 867,13125295
Überblick
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-).
Namen und Bezeichner
- Bevorzugter 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
- Lokaler Name
- S-(Hydrogensuccinyl)coenzym A
- Englischer Name
- S-(hydrogen succinyl)coenzyme A
- Summenformel
- C25H40N7O19P3S
- Molmasse
- 867.61
Namen und Synonyme
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
Weitere Namen anzeigen
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]] ester
Eigenschaften
Berechnete StruktureigenschaftenWird ergänzt
- XLogP
- -6,2
- Polarare Oberfläche (TPSA)
- 426 Ų
- H-Brücken-Donoren
- 10
- H-Brücken-Akzeptoren
- 24
- Frei drehbare Bindungen
- 23
- Schwere Atome
- 55
- Formalladung
- 0
- Komplexität
- 1.510
Experimentelle und physikochemische Eigenschaften
DrugsPharmaceuticals -> Listed in ZINC15
LipidsFatty Acyls [FA] -> Fatty esters [FA07] -> Fatty acyl CoAs [FA0705]
Physical DescriptionSolid
Physikochemische Eigenschaften
- Dichte
- 1.91 · 1.91±0.1 g/cm3(Predicted)
- pka
- 1.16 · 1.16±0.50(Predicted)
Chemie und Industrie
Pharmakologische Informationen
Tissue LocationsSkeletal Muscle
Cellular LocationsExtracellular
Metabolite Pathways2-ketoglutarate dehydrogenase complex deficiency
Ergänzende Hinweise
DefinitionChEBI: An omega-carboxyacyl-CoA having succinoyl as the S-acyl component.
Zugehörige Reaktionen
2
Notizen zur Verbindung
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