CHEBI:74693 - trans-2-tetracosenoyl-CoA(4−)

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name trans-2-tetracosenoyl-CoA(4−)
ChEBI ID CHEBI:74693
ChEBI ASCII Name trans-2-tetracosenoyl-CoA(4-)
Definition An acyl-CoA(4−) arising from deprotonation of the phosphate and diphosphate functions of trans-2-tetracosenoyl-CoA.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Hnin
Supplier Information
Download Molfile XML SDF
Formula C45H76N7O17P3S
Net Charge -4
Average Mass 1112.10800
Monoisotopic Mass 1111.42532
InChI InChI=1S/C45H80N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-36(54)73-29-28-47-35(53)26-27-48-43(57)40(56)45(2,3)31-66-72(63,64)69-71(61,62)65-30-34-39(68-70(58,59)60)38(55)44(67-34)52-33-51-37-41(46)49-32-50-42(37)52/h24-25,32-34,38-40,44,55-56H,4-23,26-31H2,1-3H3,(H,47,53)(H,48,57)(H,61,62)(H,63,64)(H2,46,49,50)(H2,58,59,60)/p-4/b25-24+/t34-,38-,39-,40+,44-/m1/s1
InChIKey UVJKZCSQLMWPMV-LQJAWXTISA-J
SMILES CCCCCCCCCCCCCCCCCCCCC\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-tetracosenoyl-CoA(4−) (CHEBI:74693) is a 2,3-trans-enoyl CoA(4−) (CHEBI:58856)
trans-2-tetracosenoyl-CoA(4−) (CHEBI:74693) is conjugate base of trans-2-tetracosenoyl-CoA (CHEBI:75068)
Incoming trans-2-tetracosenoyl-CoA (CHEBI:75068) is conjugate acid of trans-2-tetracosenoyl-CoA(4−) (CHEBI:74693)
IUPAC Name
3'-phosphonatoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-({3-[(2-{[(2E)-tetracos-2-enoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-4-oxobutyl] diphosphate}
Synonyms Sources
(2E)-tetracosenoyl-CoA UniProt
(E)-2-tetracosenoyl-CoA(4−) ChEBI
(E)-2-tetracosenoyl-coenzyme A(4−) ChEBI
trans-2-tetracosenoyl-coenzyme A(4−) ChEBI
Last Modified
03 February 2015