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CHEBI:74691 - trans-2-icosenoyl-CoA(4−)

ChEBI IDCHEBI:74691
ChEBI Nametrans-2-icosenoyl-CoA(4−)
Stars
ASCII Nametrans-2-icosenoyl-CoA(4-)
DefinitionAn acyl-CoA(4−) arising from deprotonation of the phosphate and diphosphate functions of trans-2-icosenoyl-CoA.
Last Modified27 July 2021
SubmitterHnin
DownloadsMolfile
FormulaC41H68N7O17P3S
Net Charge-4
Average Mass1056.016
Monoisotopic Mass1055.36272
SMILESCCCCCCCCCCCCCCCCC/C=C/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-]
InChIInChI=1S/C41H72N7O17P3S/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/h20-21,28-30,34-36,40,51-52H,4-19,22-27H2,1-3H3,(H,43,49)(H,44,53)(H,57,58)(H,59,60)(H2,42,45,46)(H2,54,55,56)/p-4/b21-20+/t30-,34-,35-,36+,40-/m1/s1
InChIKeyROOFWBIMBMJYGA-DSAUMYHJSA-J
ChEBI Ontology
Outgoing Relation(s)
trans-2-icosenoyl-CoA(4−) (CHEBI:74691) is a 2,3-trans-enoyl CoA(4−) (CHEBI:58856)
trans-2-icosenoyl-CoA(4−) (CHEBI:74691) is a long-chain fatty acyl-CoA(4−) (CHEBI:83139)
trans-2-icosenoyl-CoA(4−) (CHEBI:74691) is conjugate base of trans-2-icosenoyl-CoA (CHEBI:75061)
Incoming Relation(s)
trans-2-icosenoyl-CoA (CHEBI:75061) is conjugate acid of trans-2-icosenoyl-CoA(4−) (CHEBI:74691)
IUPAC Name 
3'-phosphonatoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-({3-[(2-{[(2E)-icos-2-enoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-4-oxobutyl] diphosphate}
Synonyms  Source
(E)-2-eicosenoyl-CoA(4−)ChEBI
(E)-2-icosenoyl-CoA(4−)ChEBI
trans-2-eicosenoyl-CoA(4−)ChEBI
(E)-2-eicosenoyl-coenzyme A(4−)ChEBI
trans-2-icosenoyl-coenzyme A(4−)ChEBI
trans-2-eicosenoyl-coenzyme A(4−)ChEBI
UniProt Name  Source
(2E)-eicosenoyl-CoAUniProt