Advanced search: Search from
Select basic information for advanced search
| Free word | ||
|---|---|---|
| Chemical structure search How to Search | Import MOLfile format is only available (V3000 format is not available) |
|---|
Chem
J-GLOBAL ID：200907020163540682
Nikkaji number：J727.498J 4-Hydroxybenzoyl CoA
4-ヒドロキシベンゾイルCoA
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Molecular formula： C26H36N7O18P3S
Molecular formula furigana： C26-H36-N7-O18-P3-S
Molecular weight： 859.590
InChI：
InChI=1S/C26H36N7O18P3S/c1-26(2,20(37)23(38)28-8-7-16(35)32-55-25(39)13-3-5-14(34)6-4-13)10-48-54(45,46)51-53(43,44)47-9-15-19(50-52(40,41)42)18(36)24(49-15)33-12-31-17-21(27)29-11-30-22(17)33/h3-6,11-12,15,18-20,24,34,36-37H,7-10H2,1-2H3,(H,28,38)(H,32,35)(H,43,44)(H,45,46)(H2,27,29,30)(H2,40,41,42)/t15-,18-,19-,20+,24-/m1/s1
InChI key：
HESBKRJFEPTAIM-DJVIHCHSSA-N
SMILES：
CC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(=O)(O)O)n1cnc2c(N)ncnc12)[C@@H](O)C(=O)NCCC(=O)NSC(=O)c1ccc(O)cc1
Systematic name (3)： - 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-[(4-ヒドロキシベンゾイルチオ)カルバモイル]エチル]カルバモイル]プロピル]]
- {[(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-3-({2-[(4-ヒドロキシベンゾイルスルファニル)カルバモイル]エチル}カルバモイル)-2,2-ジメチルプロポキシ]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
- {[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-2-({[hydroxy({hydroxy[(3R)-3-hydroxy-3-({2-[(4-hydroxybenzoylsulfanyl)carbamoyl]ethyl}carbamoyl)-2,2-dimethylpropoxy]phosphoryl}oxy)phosphoryl]oxy}methyl)oxolan-3-yl]oxy}phosphonic acid
- 4-ヒドロキシベンゾイルCoA
- 4-Hydroxybenzoyl CoA
- Adenosine 3′-phosphoric acid 5′-[diphosphoric acid P2-[(R)-3-hydroxy-2,2-dimethyl-3-[[2-[(4-hydroxybenzoylthio)carbamoyl]ethyl]carbamoyl]propyl]] ester
- 4-Hydroxybenzoyl-CoA
- 4-ヒドロキシベンゾイル-CoA
KEGG COMPOUND： C02949
Thsaurus map：Return to Previous Page
