(R)-3-hydroxyoctanoyl-CoA

HCID 11966193

基本情報

標準SMILES
CCCCC[C@@H](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
ATVGTMKWKDUCMS-JWBYWSJJSA-N
分子式
C29H50N7O18P3S
平均分子量
909.7 g/mol

概要

(R)-3-hydroxyoctanoyl-CoA is an (R)-3-hydroxyacyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of (R)-3-hydroxyoctanoic acid. It is a (R)-3-hydroxyacyl-CoA and a hydroxy fatty acyl-CoA. It is functionally related to an octanoyl-CoA and a (R)-3-hydroxyoctanoic acid. It is a conjugate acid of a (R)-3-hydroxyoctanoyl-CoA(4-).

名称と識別子

優先名称
(R)-3-hydroxyoctanoyl-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] (3R)-3-hydroxyoctanethioate

名称と別名

(R)-3-hydroxyoctanoyl-CoA(R)-3-Hydroxycapryloyl-CoA(R)-3-hydroxyoctanoyl-coenzyme A(R)-3-hydroxycapryloyl-coenzyme A3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-4-({3-[(2-{[(3R)-3-hydroxyoctanoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate}117249-49-7S-[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] (3R)-3-hydroxyoctanethioateCoA 8:0;O3-hydroxyoctanoyl-CoA; (Acyl-CoA); [M+H]+;(R)-3-hydroxyoctanoyl CoAorb3022333SCHEMBL3938475
名称をさらに表示
CHEBI:28573ATVGTMKWKDUCMS-JWBYWSJJSA-NLMFA07050149TXB-00612C05278Q27103779(R)-3-hydroxycapryloyl-coenzyme A;(R)-3-hydroxyoctanoyl-coenzyme A

データベース識別子

PubChem CID
11966193
ChEBI
CHEBI:28573
Nikkaji
J3.702.080J

物性

構造計算による物性

XLogP
-4
極性表面積
409 Ų
水素結合供与体数
10
水素結合受容体数
23
回転可能結合数
26
重原子数
58

実験および物理化学的性質

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

関連反応

6 件

関連ノート

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