S-(Hydrogenmalonyl)coenzym A

Malonyl CoA

HCID 644066CAS 524-14-1
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Grundinformationen

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)CC(=O)O
InChIKey
LTYOQGRJFJAKNA-DVVLENMVSA-N
Summenformel
C24H38N7O19P3S
Durchschnittliche Molmasse
853,6 g/mol
Monoisotopische Masse
853,11560289

Überblick

Malonyl-CoA is the S-malonyl derivative of coenzyme A. It has a role as a metabolite, an EC 2.3.1.21 (carnitine O-palmitoyltransferase) inhibitor, a mouse metabolite and an Escherichia coli metabolite. It is functionally related to a coenzyme A. It is a conjugate acid of a malonyl-CoA(5-).

Namen und Bezeichner

Bevorzugter Name
Malonyl CoA
IUPAC
3-[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]-3-oxopropanoic acid
Lokaler Name
S-(Hydrogenmalonyl)coenzym A
Englischer Name
S-(hydrogen malonyl)coenzyme A
Summenformel
C24H38N7O19P3S
Molmasse
853.58

Namen und Synonyme

malonyl-CoAMalonyl CoAMALONYL COENZYME A524-14-1CoA, MalonylCHEBI:15531DTXSID40904351LNB9YCJ9F93-[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]-3-oxopropanoic acid3'-phosphoadenosine 5'-{3-[(3R)-4-{[3-({2-[(3-carboxyacetyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-3-hydroxy-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate}3-[(2-{3-[(2R)-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]-3-oxopropanoic acidCoenzyme A, Malonyl
Weitere Namen anzeigen
malony-coaS-Malonyl-CoAMalonyl-CoA-sodium-saltS-(Carboxyacetyl)coenzyme AS-(hydrogen malonyl)coenzyme ACoenzyme A, S-(hydrogen propanedioate)coenzyme A malonyl derivative, tetralithium saltAdenosine 5'-[diphosphoric acid β-[(R)-4-[[2-[[2-(carboxyacetylthio)ethyl]carbamoyl]ethyl]amino]-4-oxo-3-hydroxy-2,2-dimethylbutyl]]3'-phosphoric acid
3'-phosphoadenosine 5'-(3-((3R)-4-((3-((2-((3-carboxyacetyl)sulfanyl)ethyl)amino)-3-oxopropyl)amino)-3-hydroxy-2,2-dimethyl-4-oxobutyl) dihydrogen diphosphate)3-((2-(3-((2R)-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)-3-oxopropanoic acid3-(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)-3-oxopropanoic acidRefChem:800807DTXCID901333508208-353-43-((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)-3-oxopropanoic acidmalonyl-coenzyme a

Datenbank-Bezeichner

CAS
524-14-1
PubChem CID
644066
DTXSID
DTXSID40904351
ChEMBL
CHEMBL1234355
ChEBI
CHEBI:15531
UNII
LNB9YCJ9F9
EC Number
208-353-4
Nikkaji
J203.864A

Eigenschaften

Berechnete Struktureigenschaften

XLogP
-5,9
Polarare Oberfläche (TPSA)
426 Ų
H-Brücken-Donoren
10
H-Brücken-Akzeptoren
24
Frei drehbare Bindungen
22
Schwere Atome
54

Experimentelle und physikochemische Eigenschaften

DrugsPharmaceuticals -> Listed in ZINC15
LipidsFatty Acyls [FA] -> Fatty esters [FA07] -> Fatty acyl CoAs [FA0705]
Physical DescriptionSolid
Collision Cross Section · 2 Einträge

253.05 Ų [M-H]- [CCS Type: DT; Method: stepped-field]

252.2 Ų [M-H]-

Physikochemische Eigenschaften

Dichte
1.95 · 1.95±0.1 g/cm3(Predicted)
pka
1.16 · 1.16±0.50(Predicted)

Sicherheit und Regulatorisches

Gefahrenhinweise

Regulatory InformationCoenzyme A, S-(hydrogen propanedioate): Does not have an individual approval but may be used under an appropriate group standard

Chemie und Industrie

Pharmakologische Informationen

Tissue LocationsAdipose Tissue
Cellular LocationsExtracellular
Metabolite PathwaysFatty Acid Biosynthesis

Vor- und nachgelagerte Produkte

Anbieter35 Anbieter

湖北永阔科技有限公司027-59223108 15972152991 · [email protected]
成都乐美天医药科技有限公司17308096051 17308096051 · [email protected]
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
成都超九八生物科技有限公司13348960310 13348960310 · [email protected]
江苏艾康生物医药研发有限公司025-025-66113011 15955137747 · [email protected]

Ergänzende Hinweise

DefinitionChEBI: The S-malonyl derivative of coenzyme A.

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