Chemical Compound

Mesaconyl-CoA

Mesaconyl-CoA chemical structure
Primary Record

Mesaconyl-CoA

In stock
550 g
Purity
98.1 %

Compound Identifiers & Properties

PubChem CID
11966166
SMILES
C/C(=C\C(=O)O)/C(=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
C/C(=C\C(=O)O)C(=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

Names & Synonyms

  • Mesaconyl-CoA
  • mesaconyl-coenzyme A
  • 2-methylfumaroyl-CoA
  • Mesaconyl CoA
  • Mesaconyl-C1-CoA
  • Mesaconyl Coenzme A
  • 2-methylfumaroyl-coenzyme A
  • 2-methylfumaryl-CoA
  • RefChem:1089000
  • CHEBI:27969
  • SCHEMBL29766119
  • LMFA07050349
  • CID11966166
  • (E)-3-carboxy-2-methylprop-2-enoyl-CoA
  • C06028
  • J1.773.644B
  • CHEBI:27969; (Acyl-CoA); [M+H]+;
  • S-[(E)-2-Methyl-3-carboxypropenoyl]coenzyme A
  • Q27103428
  • 3'-phosphoadenosine 5'-{3-[(3R)-4-({3-[(2-{[(2E)-3-carboxy-2-methylprop-2-enoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-3-hydroxy-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate}
  • (2E)-4-[(2-{3-[(2R)-3-[({[({[(2R,3S,4R,5R)-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]-3-methyl-4-oxobut-2-enoic acid
  • (E)-4-(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)ethylsulfanyl)-3-methyl-4-oxobut-2-enoic acid
  • (E)-4-[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]ethylsulfanyl]-3-methyl-4-oxobut-2-enoic acid
  • 3'-phosphoadenosine 5'-(3-((3R)-4-((3-((2-(((2E)-3-carboxy-2-methylprop-2-enoyl)sulfanyl)ethyl)amino)-3-oxopropyl)amino)-3-hydroxy-2,2-dimethyl-4-oxobutyl) dihydrogen diphosphate)
  • OA9