Name: 2-Oxopentanedicarboxyl-CoA
Rating: 5 (10 reviews)

有库存

sdf 文件

结构编辑

类似物检索

HIT ID:HIT219619410
Cas No:1053175-40-8
常用名:2-Oxopentanedicarboxyl-CoA
别名:2-Oxopentanedicarboxyl-Coenzyme A
IUPAC:5-{[2-(3-{3-[({[({[(2S,3R,4S,5S)-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}-4,5-dioxopentanoic acid
IUPAC:5-{[2-(3-{3-[({[({[(2S,3R,4S,5S)-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}-4,5-dioxopentanoic acid
InChI key:InChIKey=QYHKIXYHXCJHTR-IVXZQCHCSA-N

分子式:C26H40N7O20P3S
分子量:895.62
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(O)C(=O)NCCC(=O)NCCSC(=O)C(=O)CCC(O)=O
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(O)C(=O)NCCC(=O)NCCSC(=O)C(=O)CCC(O)=O

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