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

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name trans-2-icosenoyl-CoA(4−)
ChEBI ID CHEBI:74691
ChEBI ASCII Name trans-2-icosenoyl-CoA(4-)
Definition An acyl-CoA(4−) arising from deprotonation of the phosphate and diphosphate functions of trans-2-icosenoyl-CoA.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Hnin
Supplier Information
Download Molfile XML SDF
Formula C41H68N7O17P3S
Net Charge -4
Average Mass 1056.00200
Monoisotopic Mass 1055.36272
InChI InChI=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
InChIKey ROOFWBIMBMJYGA-DSAUMYHJSA-J
SMILES CCCCCCCCCCCCCCCCC\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]([C@H](O)[C@@H]1OP([O-])([O-])=O)n1cnc2c(N)ncnc12
ChEBI Ontology
Outgoing 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 conjugate base of trans-2-icosenoyl-CoA (CHEBI:75061)
Incoming 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 Sources
(2E)-eicosenoyl-CoA UniProt
(E)-2-eicosenoyl-CoA(4−) ChEBI
(E)-2-eicosenoyl-coenzyme A(4−) ChEBI
(E)-2-icosenoyl-CoA(4−) ChEBI
(E)-2-icosenoyl-coenzyme A(4−) ChEBI
trans-2-eicosenoyl-CoA(4−) ChEBI
trans-2-eicosenoyl-coenzyme A(4−) ChEBI
trans-2-icosenoyl-coenzyme A(4−) ChEBI
Last Modified
05 December 2014