Record Information
Version1.0
StatusDetected and Quantified
Creation Date2022-04-29 22:07:07 UTC
Update Date2024-04-30 20:37:09 UTC
Metabolite IDMMDBc0048693
Metabolite Identification
Common NameArachidonyl-CoA
Descriptionarachidonoyl-CoA(4-), also known as C20:4-CoA(4-), belongs to the class of organic compounds known as long-chain fatty acyl coas. These are acyl CoAs where the group acylated to the coenzyme A moiety is a long aliphatic chain of 13 to 21 carbon atoms. Based on a literature review a significant number of articles have been published on arachidonoyl-CoA(4-).
Structure
Synonyms
ValueSource
(5Z,8Z,11Z,14Z)-5,8,11,14-Eicosatetraenoyl-CoA(4-)ChEBI
(5Z,8Z,11Z,14Z)-Eicosatetraenoyl-CoAChEBI
Arachidonoyl-coenzyme A(4-)ChEBI
Arachidonyl-coenzyme A(4-)ChEBI
C20:4-CoA(4-)ChEBI
cis-Delta(5,8,11,14)-Eicosatetraenoyl-CoA(4-)ChEBI
cis-Delta(5,8,11,14)-Eicosatetraenoyl-coenzyme A(4-)ChEBI
cis-Δ(5,8,11,14)-eicosatetraenoyl-CoA(4-)Generator
cis-Δ(5,8,11,14)-eicosatetraenoyl-coenzyme A(4-)Generator
Molecular FormulaC41H62N7O17P3S
Average Mass1049.96
Monoisotopic Mass1049.315770052
IUPAC Name(3R)-3-hydroxy-3-{[2-({2-[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoylsulfanyl]ethyl}carbamoyl)ethyl]carbamoyl}-2,2-dimethylpropyl ({[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)oxolan-2-yl]methyl phosphono}oxy)phosphonate
Traditional Name(3R)-3-hydroxy-3-{[2-({2-[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoylsulfanyl]ethyl}carbamoyl)ethyl]carbamoyl}-2,2-dimethylpropyl {[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-(phosphonooxy)oxolan-2-yl]methyl phosphono}oxyphosphonate
CAS Registry Number17046-56-9
SMILES
[H]O[C@@]([H])(C(=O)N([H])C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])C([H])([H])SC(=O)C([H])([H])C([H])([H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])OP([O-])(=O)OP([O-])(=O)OC([H])([H])[C@@]1([H])O[C@@]([H])(N2C([H])=NC3=C(N=C([H])N=C23)N([H])[H])[C@]([H])(O[H])[C@]1([H])OP([O-])([O-])=O
InChI Identifier
InChI=1S/C41H66N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-32(50)69-25-24-43-31(49)22-23-44-39(53)36(52)41(2,3)27-62-68(59,60)65-67(57,58)61-26-30-35(64-66(54,55)56)34(51)40(63-30)48-29-47-33-37(42)45-28-46-38(33)48/h8-9,11-12,14-15,17-18,28-30,34-36,40,51-52H,4-7,10,13,16,19-27H2,1-3H3,(H,43,49)(H,44,53)(H,57,58)(H,59,60)(H2,42,45,46)(H2,54,55,56)/p-4/b9-8-,12-11-,15-14-,18-17-/t30-,34-,35-,36+,40-/m1/s1
InChI KeyJDEPVTUUCBFJIW-YQVDHACTSA-J