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CHEBI:76547 - (2E,9Z,12Z,15Z,18Z)-tetracosapentaenoyl-CoA

ChEBI IDCHEBI:76547
ChEBI Name(2E,9Z,12Z,15Z,18Z)-tetracosapentaenoyl-CoA
Stars
ASCII Name(2E,9Z,12Z,15Z,18Z)-tetracosapentaenoyl-CoA
DefinitionAn unsaturated fatty acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of (2E,9Z,12Z,15Z,18Z)-tetracosapentaenoic acid.
Last Modified2 December 2013
SubmitterSteve
DownloadsMolfile
FormulaC45H72N7O17P3S
Net Charge0
Average Mass1108.092
Monoisotopic Mass1107.39182
SMILESCCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC/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/C45H72N7O17P3S/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/h8-9,11-12,14-15,17-18,24-25,32-34,38-40,44,55-56H,4-7,10,13,16,19-23,26-31H2,1-3H3,(H,47,53)(H,48,57)(H,61,62)(H,63,64)(H2,46,49,50)(H2,58,59,60)/b9-8-,12-11-,15-14-,18-17-,25-24+/t34-,38-,39-,40+,44-/m1/s1
InChIKeyAVRCOFDAWHWKMB-MNTHWFIHSA-N
Roles Classification
Chemical Role:
acyl donor  Any donor that can transfer acyl groups between molecular entities.
ChEBI Ontology
Outgoing Relation(s)
(2E,9Z,12Z,15Z,18Z)-tetracosapentaenoyl-CoA (CHEBI:76547) is a unsaturated fatty acyl-CoA (CHEBI:51006)
(2E,9Z,12Z,15Z,18Z)-tetracosapentaenoyl-CoA (CHEBI:76547) is a very long-chain fatty acyl-CoA (CHEBI:61910)
(2E,9Z,12Z,15Z,18Z)-tetracosapentaenoyl-CoA (CHEBI:76547) is conjugate acid of (2E,9Z,12Z,15Z,18Z)-tetracosapentaenoyl-CoA(4−) (CHEBI:76418)
Incoming Relation(s)
(2E,9Z,12Z,15Z,18Z)-tetracosapentaenoyl-CoA(4−) (CHEBI:76418) is conjugate base of (2E,9Z,12Z,15Z,18Z)-tetracosapentaenoyl-CoA (CHEBI:76547)
IUPAC Name 
3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-4-({3-[(2-{[(2E,9Z,12Z,15Z,18Z)-tetracosa-2,9,12,15,18-pentaenoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate}
Synonym  Source
(2E,9Z,12Z,15Z,18Z)-tetracosapentaenoyl-coenzyme AChEBI