2-Amino-4-(((5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl)methyl)sulfanyl)butanoic acid

HCID 193

基本情報

標準SMILES: Nc1ncnc2c1ncn2C1OC(CSCCC(N)C(=O)O)C(O)C1O
InChIKey: ZJUKTBDSGOFHSH-UHFFFAOYSA-N
分子式: C14H20N6O5S
平均分子量: 384.41 g/mol
単同位体質量: 384.12158874

概要

(2S)-2-Amino-4-[[(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methylsulfanyl]butanoic acid is a nucleobase-containing molecular entity.

名称と識別子

優先名称: 2-Amino-4-(((5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl)methyl)sulfanyl)butanoic acid
IUPAC: 2-amino-4-[[5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methylsulfanyl]butanoic acid

名称と別名

DTXSID908624972-Amino-4-(((5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl)methyl)sulfanyl)butanoic acid2-amino-4-({[5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl}sulfanyl)butanoic acidRefChem:1062175DTXCID60811250S-adenosyl-dl-homocysteine5'-Deoxy-S-adenosyl-L-homocysteineS-(5''-Adenosyl)-D-homocysteine58976-18-4S-Adenosyl-D-homocysteine(R)-2-Amino-4-((((2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl)methyl)thio)butanoic acidSAH (S-Adenosylhomocysteine)

名称をさらに表示

C14H20N6O5Ss-adenosyl-l-homocysteinSCHEMBL12436336CHEBI:181457S-Adenosyl-L-homocysteine (SAH)S-(((2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl)methyl)homocysteine2-amino-4-[[5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methylsulfanyl]butanoic acid2-amino-4-[[5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methylsulanyl]butanoic acid

データベース識別子

PubChem CID: 193
DTXSID: DTXSID90862497
ChEBI: CHEBI:181457

物性

構造計算による物性

XLogP: -3.5
極性表面積: 208 Å²
水素結合供与体数: 5
水素結合受容体数: 11
回転可能結合数: 7
重原子数: 26
形式電荷: 0
複雑度: 504