Chemical Compound

{[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-2-({[({[(3R)-3-[(2-{[2-(heptadecanoylsulfanyl)ethyl]carbamoyl}ethyl)carbamoyl]-3-hydroxy-2,2-dimethylpropoxy](hydroxy)phosphoryl}oxy)(hydroxy)phosphoryl]oxy}methyl)-4-hydroxyoxolan-3-yl]oxy}phosphonic acid

CAS Registry Number 3546-17-6
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{[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-2-({[({[(3R)-3-[(2-{[2-(heptadecanoylsulfanyl)ethyl]carbamoyl}ethyl)carbamoyl]-3-hydroxy-2,2-dimethylpropoxy](hydroxy)phosphoryl}oxy)(hydroxy)phosphoryl]oxy}methyl)-4-hydroxyoxolan-3-yl]oxy}phosphonic acid 结构式
Primary record

{[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-2-({[({[(3R)-3-[(2-{[2-(heptadecanoylsulfanyl)ethyl]carbamoyl}ethyl)carbamoyl]-3-hydroxy-2,2-dimethylpropoxy](hydroxy)phosphoryl}oxy)(hydroxy)phosphoryl]oxy}methyl)-4-hydroxyoxolan-3-yl]oxy}phosphonic acid

库存
2,015 克
纯度
99.7 %
CAS
3546-17-6

化合物标识与属性

CAS
3546-17-6
PubChem CID
3082004
SMILES
CCCCCCCCCCCCCCCCC(=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
CCCCCCCCCCCCCCCCC(=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

  • Heptadecanoyl-coa
  • Heptadecyl-coa
  • Heptadecanoyl coenzyme A
  • Heptadecanoyl CoA
  • heptadecanoate
  • Heptadecyl-coenzyme A
  • Heptadecanoyl-coenzyme A
  • n-heptadecanoate
  • s-heptadecanoate
  • Margaric acid coa
  • Coenzyme A, heptadecyl-
  • s-heptadecanoic acid
  • n-Heptadecanoic acid
  • Margaroyl coenzyme A
  • S-Heptadecanoyl CoA
  • Coenzyme A, heptadecanoyl-
  • Heptadecanoic acid coa
  • HEPTADECANOIC ACID
  • AC1MIXZ4
  • RefChem:922842
  • Coenzyme A, S-heptadecanoate
  • s-Heptadecanoyl coenzyme A
  • s-heptadecanoate-coenzyme a
  • S-heptadecanoate coenzyme A
  • 3546-17-6
  • CHEBI:74397
  • DTXSID201316404
  • n-Heptadecanoic acid coenzyme a
  • orb2944116
  • SCHEMBL1064890
  • SCHEMBL29374328
  • CTK6D9582
  • n-Heptadecanoyl coenzyme A lithium salt
  • N-Acetyl-3,3'-dimethylbenzidine
  • DTXCID301746256
  • LMFA07050325
  • CID3082004
  • DA-64109
  • HY-131303
  • CS-0132738
  • Heptadecanoyl-CoA; (Acyl-CoA); [M+H]+;
  • NS00121116
  • G83437
  • Q27144642
  • S-[2-[3-[[(2R)-4-[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethyl] heptadecanethioate
  • {[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-2-({[({[(3R)-3-[(2-{[2-(heptadecanoylsulfanyl)ethyl]carbamoyl}ethyl)carbamoyl]-3-hydroxy-2,2-dimethylpropoxy](hydroxy)phosphoryl}oxy)(hydroxy)phosphoryl]oxy}methyl)-4-hydroxyoxolan-3-yl]oxy}phosphonic acid
  • 3'-phosphoadenosine 5'-(3-{(3R)-4-[(3-{[2-(heptadecanoylsulfanyl)ethyl]amino}-3-oxopropyl)amino]-3-hydroxy-2,2-dimethyl-4-oxobutyl} dihydrogen diphosphate)
  • 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} heptadecanethioate