ミリストイルCoA

Tetradecanoyl-coa

HCID 11966124

基本情報

CAS: 3130-72-1
標準SMILES: CCCCCCCCCCCCCC(=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: DUAFKXOFBZQTQE-QSGBVPJFSA-N
分子式: C35H62N7O17P3S
平均分子量: 977.9 g/mol

概要

Myristoyl-CoA is a long-chain fatty acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of myristic acid. It has a role as a mouse metabolite and an Escherichia coli metabolite. It is a saturated fatty acyl-CoA, a long-chain fatty acyl-CoA and an 11,12-saturated fatty acyl-CoA. It is functionally related to a coenzyme A and a tetradecanoic acid. It is a conjugate acid of a myristoyl-CoA(4-).

名称と識別子

優先名称: Tetradecanoyl-coa
IUPAC: S-[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]ethyl] tetradecanethioate
現地名: ミリストイルCoA
英語名: MYRISTOYL COENZYME A MONOHYDRATE*
分子式: C35H62N7O17P3S
分子量: 977.89

名称と別名

myristoyl-CoAtetradecanoyl-CoA3130-72-1S-Tetradecanoyl-coenzyme AMyristyl-CoATetradecanoyl Coenzyme ACoenzyme A, S-myristateCHEBI:155323'-phosphoadenosine 5'-(3-{(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-[(3-oxo-3-{[2-(tetradecanoylsulfanyl)ethyl]amino}propyl)amino]butyl} dihydrogen diphosphate)n-C14:0CoAS-[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]ethyl] tetradecanethioate3'-phosphoadenosine 5'-(3-((3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-((3-oxo-3-((2-(tetradecanoylsulfanyl)ethyl)amino)propyl)amino)butyl) dihydrogen diphosphate)

名称をさらに表示

{[(2R,3S,4R,5R)-5-(6-アミノ-9H-プリン-9-イル)-4-ヒドロキシ-2-({[ヒドロキシ({ヒドロキシ[(3R)-3-ヒドロキシ-2,2-ジメチル-3-[(2-{[2-(テトラデカノイルスルファニル)エチル]カルバモイル}エチル)カルバモイル]プロポキシ]ホスホリル}オキシ)ホスホリル]オキシ}メチル)オキソラン-3-イル]オキシ}ホスホン酸ミリストイル-CoAテトラデカノイル-CoAアデノシン3′-りん酸5′-[二りん酸β-[(R)-3-ヒドロキシ-4-[[3-[[2-(ミリストイルチオ)エチル]アミノ]-3-オキソプロピル]アミノ]-2,2-ジメチル-4-オキソブチル]]ミリストイルCoAS-ミリストイル補酵素Aミリストイル補酵素AMyristoyl-CoA-sodium-salts-tetradecanoyl-coenzymeaCoenzyme A, S-tetradecanoateMYRISTOYL COENZYME A MONOHYDRATE*Tetradecanoyl Coenzyme A free acidcoenzyme A myristoyl derivative, monohydrate

S-(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)ethyl) tetradecanethioateRefChem:188515(((2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-2-(((hydroxy(((hydroxy((3-hydroxy-2,2-dimethyl-3-((2-((2-(tetradecanoylsulfanyl)ethyl)carbamoyl)ethyl)carbamoyl)propoxy))phosphoryl)oxy))phosphoryl)oxy)methyl)oxolan-3-yl)oxy)phosphonic acid{[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-2-({[hydroxy({[hydroxy({3-hydroxy-2,2-dimethyl-3-[(2-{[2-(tetradecanoylsulfanyl)ethyl]carbamoyl}ethyl)carbamoyl]propoxy})phosphoryl]oxy})phosphoryl]oxy}methyl)oxolan-3-yl]oxy}phosphonic acidCoenzyme A, tetradecanoyl-DUAFKXOFBZQTQE-QSGBVPJFSA-NN-Myristoyl coenzyme An-C14:0-coenzyme A

データベース識別子

CAS: 3130-72-1
PubChem CID: 11966124
ChEMBL: CHEMBL1949899
ChEBI: CHEBI:15532
Nikkaji: J589.553G

物性

構造計算による物性

XLogP: 0.6
極性表面積: 389 Å²
水素結合供与体数: 9
水素結合受容体数: 22
回転可能結合数: 32
重原子数: 63
形式電荷: 0
複雑度: 1,590

実験および物理化学的性質

DrugsPharmaceuticals -> Listed in ZINC15

LipidsFatty Acyls [FA] -> Fatty esters [FA07] -> Fatty acyl CoAs [FA0705]

物理化学的性質

比重(密度): 1.58 · 1.58±0.1 g/cm3(Predicted)
貯蔵温度: 0 °C · Store at 0°C
酸解離定数(Pka): 1.16 · 1.16±0.50(Predicted)

安全と法規制

安全データ

safety_code: 22-24/25

化学と産業

サプライヤー11 社

上海梅凯科技有限公司021-68689288 15300790979 · [email protected]

Creative Enzymes1-516-855-7709 · [email protected]

BOC Sciences[email protected]

江苏艾康生物医药研发有限公司025-58859352 15955137747 · [email protected]

上海贝万塔生物科技有限公司021-67187366 19901745723 · [email protected]

補足説明

定義ChEBI: A long-chain fatty acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of myristic acid.

化合物ノート

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