Chemical Compound

1-[5-(6-amino-9h-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-21-ethyl-3,5,9,21-tetrahydroxy-8,8-dimethyl-10,14,19-trioxo-2,4,6-trioxa-18-thia-11,15-diaza-3,5-diphosphatricosan-23-oic acid 3,5-dioxide(non-preferred name)

CAS Registry Number 69925-08-2
1-[5-(6-amino-9h-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-21-ethyl-3,5,9,21-tetrahydroxy-8,8-dimethyl-10,14,19-trioxo-2,4,6-trioxa-18-thia-11,15-diaza-3,5-diphosphatricosan-23-oic acid 3,5-dioxide(non-preferred name) 结构式
Primary record

1-[5-(6-amino-9h-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-21-ethyl-3,5,9,21-tetrahydroxy-8,8-dimethyl-10,14,19-trioxo-2,4,6-trioxa-18-thia-11,15-diaza-3,5-diphosphatricosan-23-oic acid 3,5-dioxide(non-preferred name)

库存
7,714 克
纯度
99.0 %
CAS
69925-08-2

化合物标识与属性

CAS
69925-08-2
PubChem CID
189749
SMILES
CCC(CC(=O)O)(CC(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)N2C=NC3=C(N=CN=C32)N)O)OP(=O)(O)O)O)O
Canonical SMILES
CCC(O)(CC(=O)O)CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O

名称与同义词

  • Hydroxyethylglutaryl-coa
  • Heg-coa
  • AC1Q5VDD
  • RefChem:911361
  • 3-Hydroxy-3-ethylglutaryl-coa
  • AC1L4P7R
  • DTXSID50990189
  • 3-Hydroxy-3-ethylglutaryl-coenzyme A
  • KST-1B9130
  • AR-1B9383
  • CID189749
  • Coenzyme A, 3-hydroxy-3-ethylglutaryl-
  • Heg-CoA; (Acyl-CoA); [M+H]+;
  • 69925-08-2
  • Coenzyme A, S-(hydrogen 3-ethyl-3-hydroxypentanedioate)
  • 1-[5-(6-amino-9h-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-21-ethyl-3,5,9,21-tetrahydroxy-8,8-dimethyl-10,14,19-trioxo-2,4,6-trioxa-18-thia-11,15-diaza-3,5-diphosphatricosan-23-oic acid 3,5-dioxide(non-preferred name)
  • 5-[2-[3-[[4-[[[5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethylsulfanyl]-3-ethyl-3-hydroxy-5-oxopentanoic acid
  • 90358-27-3
  • 9-{5-O-[({[4-({3-[(2-{[3-(Carboxymethyl)-3-hydroxypentanoyl]sulfanyl}ethyl)imino]-3-hydroxypropyl}imino)-3,4-dihydroxy-2,2-dimethylbutoxy](hydroxy)phosphoryl}oxy)(hydroxy)phosphoryl]-3-O-phosphonopentofuranosyl}-9H-purin-6-amine