Name: (R,S)-(Hydroxy(phenyl)methyl)succinyl-CoA
Rating: 5 (10 reviews)

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结构编辑

类似物检索

HIT ID:HIT219618842
Cas No:2857175-73-4
常用名:(R,S)-(Hydroxy(phenyl)methyl)succinyl-CoA
常用名:(R,S)-(Hydroxy(phenyl)methyl)succinyl-CoA
别名:(2S)-2-((R)-Hydroxybenzyl)succinyl-coenzyme A
别名:(2S)-2-((R)-Hydroxybenzyl)succinyl-coenzyme A
IUPAC:(3S,4R)-3-{[(2-{3-[(2R)-3-[({[({[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)oxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)methyl]-2-hydroxy-3-methylbutanamido]propanamido}ethyl)sulfanyl]carbonyl}-4-hydroxy-4-phenylbutanoic acid
IUPAC:(3S,4R)-3-{[(2-{3-[(2R)-3-[({[({[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)oxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)methyl]-2-hydroxy-3-methylbutanamido]propanamido}ethyl)sulfanyl]carbonyl}-4-hydroxy-4-phenylbutanoic acid
InChI key:InChIKey=DVSQFPLMOLPRDU-WCROGVKBSA-N

分子式:C32H46N7O20P3S
分子量:973.73
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
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)NCCSC(=O)[C@@H](CC(O)=O)[C@@H](O)c1ccccc1
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)NCCSC(=O)[C@@H](CC(O)=O)[C@@H](O)c1ccccc1

(R,S)-(Hydroxy(phenyl)methyl)succinyl-CoA ((2S)-2-((R)-Hydroxybenzyl)succinyl-coenzyme A) 是一种 [羟基(苯基)甲基]琥珀酰辅酶 A。

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