Chemical Compound

S-{(9R)-1-[(2R,3S,4R,5R)-5-(6-Amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)oxolan-2-yl]-3,5,9-trihydroxy-8,8-dimethyl-3,5,10,14-tetraoxo-2,4,6-trioxa-11,15-diaza-3lambda~5~,5lambda~5~-diphosphaheptadecan-17-yl} (7Z,10Z,13Z,16Z,19Z)-docosa-7,10,13,16,19-pentaenethioate

CAS Registry Number 162336-15-4
S-{(9R)-1-[(2R,3S,4R,5R)-5-(6-Amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)oxolan-2-yl]-3,5,9-trihydroxy-8,8-dimethyl-3,5,10,14-tetraoxo-2,4,6-trioxa-11,15-diaza-3lambda~5~,5lambda~5~-diphosphaheptadecan-17-yl} (7Z,10Z,13Z,16Z,19Z)-docosa-7,10,13,16,19-pentaenethioate 结构式
Primary record

S-{(9R)-1-[(2R,3S,4R,5R)-5-(6-Amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)oxolan-2-yl]-3,5,9-trihydroxy-8,8-dimethyl-3,5,10,14-tetraoxo-2,4,6-trioxa-11,15-diaza-3lambda~5~,5lambda~5~-diphosphaheptadecan-17-yl} (7Z,10Z,13Z,16Z,19Z)-docosa-7,10,13,16,19-pentaenethioate

库存
5,958 克
纯度
98.9 %
CAS
162336-15-4

化合物标识与属性

CAS
162336-15-4
PubChem CID
56928012
SMILES
CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)N)O)OP(=O)(O)O)O
Canonical SMILES
CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O

名称与同义词

  • docosapentaenoyl-CoA
  • orb3022298
  • SCHEMBL29390159
  • CHEBI:63541
  • (7Z,10Z,13Z,16Z,19Z)-Docosapentaenoyl-CoA
  • 22:5(n-3)-CoA
  • DTXSID701164105
  • LMFA07050131
  • 7Z,10Z,13Z,16Z,19Z-docosapentaenoyl-CoA
  • all-cis-7,10,13,16,19-docosapentaenoyl-CoA
  • 22:5(n-3)
  • C16166
  • Q27132677
  • 162336-15-4
  • 3'-phosphoadenosine 5'-{3-[(3R)-4-({3-[(2-{[(7Z,10Z,13Z,16Z,19Z)-docosa-7,10,13,16,19-pentaenoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-3-hydroxy-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate}
  • Coenzyme A, S-(7Z,10Z,13Z,16Z,19Z)-7,10,13,16,19-docosapentaenoate
  • S-{(9R)-1-[(2R,3S,4R,5R)-5-(6-Amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)oxolan-2-yl]-3,5,9-trihydroxy-8,8-dimethyl-3,5,10,14-tetraoxo-2,4,6-trioxa-11,15-diaza-3lambda~5~,5lambda~5~-diphosphaheptadecan-17-yl} (7Z,10Z,13Z,16Z,19Z)-docosa-7,10,13,16,19-pentaenethioate