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CHEBI:75068 - trans-2-tetracosenoyl-CoA

ChEBI IDCHEBI:75068
ChEBI Nametrans-2-tetracosenoyl-CoA
Stars
ASCII Nametrans-2-tetracosenoyl-CoA
DefinitionA 2,3-trans-enoyl CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of trans-2-tetracosenoic acid.
Last Modified5 February 2018
SubmitterSteve
DownloadsMolfile
FormulaC45H80N7O17P3S
Net Charge0
Average Mass1116.156
Monoisotopic Mass1115.45442
SMILESCCCCCCCCCCCCCCCCCCCCC/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/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)/b25-24+/t34-,38-,39-,40+,44-/m1/s1
InChIKeyUVJKZCSQLMWPMV-LQJAWXTISA-N
Roles Classification
Chemical Role:
acyl donor  Any donor that can transfer acyl groups between molecular entities.
ChEBI Ontology
Outgoing Relation(s)
trans-2-tetracosenoyl-CoA (CHEBI:75068) is a trans-2-enoyl-CoA (CHEBI:50998)
trans-2-tetracosenoyl-CoA (CHEBI:75068) is a monounsaturated fatty acyl-CoA (CHEBI:139575)
trans-2-tetracosenoyl-CoA (CHEBI:75068) is a very long-chain fatty acyl-CoA (CHEBI:61910)
trans-2-tetracosenoyl-CoA (CHEBI:75068) is conjugate acid of trans-2-tetracosenoyl-CoA(4−) (CHEBI:74693)
Incoming Relation(s)
trans-2-tetracosenoyl-CoA(4−) (CHEBI:74693) is conjugate base of trans-2-tetracosenoyl-CoA (CHEBI:75068)
IUPAC Name 
3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-({3-[(2-{[(2E)-tetracos-2-enoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-4-oxobutyl] dihydrogen diphosphate}
Synonyms  Source
(E)-2-tetracosenoyl-CoAChEBI
trans-2-tetracosenoyl-coenzyme AChEBI
(E)-2-tetracosenoyl-coenzyme AChEBI