HMG-CoA

3-Hydroxy-3-methylglutaryl-CoA

HCID 91506CAS 1553-55-5

基本情報

標準SMILES: CC(O)(CC(=O)O)CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(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
InChIKey: CABVTRNMFUVUDM-SJBCKIPMSA-N
分子式: C27H44N7O20P3S
平均分子量: 911.7 g/mol
単同位体質量: 911.1574677

概要

3-hydroxy-3-methylglutaryl-CoA is an alpha, dicarboxyacyl-CoA that results from the formal condensation of the thiol group of coenzyme A with one of the carboxy groups of 3-hydroxy-3-methylglutaric acid. It has a role as a Saccharomyces cerevisiae metabolite. It is a 3-hydroxy fatty acyl-CoA and an omega-carboxyacyl-CoA. It is functionally related to a glutaryl-CoA and a 3-hydroxy-3-methylglutaric acid. It is a conjugate acid of a 3-hydroxy-3-methylglutaryl-CoA(5-).

名称と識別子

優先名称: 3-Hydroxy-3-methylglutaryl-CoA
IUPAC: 5-[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-hydroxy-3-methyl-5-oxopentanoic acid
現地名: HMG-CoA
英語名: S-(hydrogen 3-hydroxy-3-methylglutaryl)coenzyme A
分子式: C27H44N7O20P3S
分子量: 911.66

名称と別名

3-Hydroxy-3-methylglutaryl-CoA(4-carboxy-3-hydroxy-3-methylbutanoyl)-CoACHEBI:11814(4-carboxy-3-hydroxy-3-methylbutanoyl)-coenzyme A3'-phosphoadenosine 5'-{3-[(3R)-4-{[3-({2-[(4-carboxy-3-hydroxy-3-methylbutanoyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-3-hydroxy-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate}5-[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-hydroxy-3-methyl-5-oxopentanoic acid3'-phosphoadenosine 5'-(3-((3R)-4-((3-((2-((4-carboxy-3-hydroxy-3-methylbutanoyl)sulfanyl)ethyl)amino)-3-oxopropyl)amino)-3-hydroxy-2,2-dimethyl-4-oxobutyl) dihydrogen diphosphate)5-(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-hydroxy-3-methyl-5-oxopentanoic acidRefChem:1067952S-(Hydrogen 3-hydroxy-3-methylglutaryl)coenzyme AEINECS 216-301-7Coenzyme A, S-(hydrogen 3-hydroxy-3-methylpentanedioate)

名称をさらに表示

(S)-3-ヒドロキシ-3-メチルグルタリルCoA3-ヒドロキシ-3-メチルグルタリルCoA5-[(2-{3-[(2R)-3-[({[({[(2R,3S,4R,5R)-5-(6-アミノ-9H-プリン-9-イル)-4-ヒドロキシ-3-(ホスホノオキシ)オキソラン-2-イル]メトキシ}(ヒドロキシ)ホスホリル)オキシ](ヒドロキシ)ホスホリル}オキシ)メチル]-2-ヒドロキシ-3-メチルブタンアミド]プロパンアミド}エチル)スルファニル]-3-ヒドロキシ-3-メチル-5-オキソペンタン酸3-ヒドロキシ-3-メチルグルタリル補酵素Aアデノシン3′-りん酸5′-[二りん酸P2-[(R)-3-ヒドロキシ-2,2-ジメチル-3-[[2-[[2-[(3-ヒドロキシ-3-メチル-5-オキソ-5-ヒドロキシバレリル)チオ]エチル]カルバモイル]エチル]カルバモイル]プロピル]]アデノシン3′-りん酸5′-[二りん酸β-[(R)-4-[[2-[[2-(4-カルボキシ-3-ヒドロキシ-3-メチル-1-オキソブチルチオ)エチル]カルバモイル]エチル]アミノ]-4-オキソ-3-ヒドロキシ-2,2-ジメチルブチル]]アデノシン3′-りん酸5′-[二りん酸P2-[(R)-3-ヒドロキシ-2,2-ジメチル-3-[[2-[[2-[(3-ヒドロキシ-3-メチル-4-カルボキシブチリル)チオ]エチル]カルバモイル]エチル]カルバモイル]プロピル]]アデノシン3′-りん酸5′-[二りん酸P2-[2,2-ジメチル-3-ヒドロキシ-3-[[2-[[2-(5-オキソ-3,5-ジヒドロキシ-3-メチルペンタノイルチオ)エチル]アミノカルボニル]エチル]アミノカルボニル]プロピル]]5-{[2-(3-{3-[({[({[(2R,3S,4R,5R)-5-(6-アミノ-9H-プリン-9-イル)-4-ヒドロキシ-3-(ホスホノオキシ)オキソラン-2-イル]メトキシ}(ヒドロキシ)ホスホリル)オキシ](ヒドロキシ)ホスホリル}オキシ)メチル]-2-ヒドロキシ-3-メチルブタンアミド}プロパンアミド)エチル]スルファニル}-3-ヒドロキシ-3-メチル-5-オキソペンタン酸HMG-CoA3-hydroxy-3-methylglutaryl-coenzyme AKetorolac Impurity 573-Hydroxy-3-methylglutaryl-CoA sodium salt5-[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]aminopropanoylamino]ethylsulfanyl]-3-hydroxy-3-methyl-5-oxo-pentanoic acid

SCHEMBL219453SCHEMBL29353902DTXSID00935181CABVTRNMFUVUDM-SJBCKIPMSA-NLMFA07050209PD131704Q27108899(4-carboxy-3-hydroxy-3-methylbutanoyl)-CoA;(4-carboxy-3-hydroxy-3-methylbutanoyl)-coenzyme A;3-hydroxy-3-methylglutaryl-coenzyme A