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
- 形式電荷
- 0
- 複雑度
- 1,520
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
読み込み中…