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CHEBI:76450 - (4Z,7Z,10Z,13Z,16Z)-docosapentaenoyl-CoA

ChEBI IDCHEBI:76450
ChEBI Name(4Z,7Z,10Z,13Z,16Z)-docosapentaenoyl-CoA
Stars
ASCII Name(4Z,7Z,10Z,13Z,16Z)-docosapentaenoyl-CoA
DefinitionAn unsaturated fatty acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of (4Z,7Z,10Z,13Z,16Z)-docosapentaenoic acid
Last Modified27 January 2016
SubmitterSteve
DownloadsMolfile
FormulaC43H68N7O17P3S
Net Charge0
Average Mass1080.038
Monoisotopic Mass1079.36052
SMILESCCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=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/C43H68N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-34(52)71-27-26-45-33(51)24-25-46-41(55)38(54)43(2,3)29-64-70(61,62)67-69(59,60)63-28-32-37(66-68(56,57)58)36(53)42(65-32)50-31-49-35-39(44)47-30-48-40(35)50/h8-9,11-12,14-15,17-18,20-21,30-32,36-38,42,53-54H,4-7,10,13,16,19,22-29H2,1-3H3,(H,45,51)(H,46,55)(H,59,60)(H,61,62)(H2,44,47,48)(H2,56,57,58)/b9-8-,12-11-,15-14-,18-17-,21-20-/t32-,36-,37-,38+,42-/m1/s1
InChIKeyQKBTYZDPVNTERQ-UWVCYPHHSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) - PubMed (19425150) Source: BioModels - MODEL1507180067
Roles Classification
Chemical Role:
acyl donor  Any donor that can transfer acyl groups between molecular entities.
Biological Role:
mouse metabolite  Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
ChEBI Ontology
Outgoing Relation(s)
(4Z,7Z,10Z,13Z,16Z)-docosapentaenoyl-CoA (CHEBI:76450) has functional parent (4Z,7Z,10Z,13Z,16Z)-docosa-4,7,10,13,16-pentaenoic acid (CHEBI:65136)
(4Z,7Z,10Z,13Z,16Z)-docosapentaenoyl-CoA (CHEBI:76450) has role mouse metabolite (CHEBI:75771)
(4Z,7Z,10Z,13Z,16Z)-docosapentaenoyl-CoA (CHEBI:76450) is a (4Z,7Z,10Z,13Z,16Z)-docosapentaenoyl derivative (CHEBI:149502)
(4Z,7Z,10Z,13Z,16Z)-docosapentaenoyl-CoA (CHEBI:76450) is a long-chain fatty acyl-CoA (CHEBI:33184)
(4Z,7Z,10Z,13Z,16Z)-docosapentaenoyl-CoA (CHEBI:76450) is a unsaturated fatty acyl-CoA (CHEBI:51006)
(4Z,7Z,10Z,13Z,16Z)-docosapentaenoyl-CoA (CHEBI:76450) is conjugate acid of (4Z,7Z,10Z,13Z,16Z)-docosapentaenoyl-CoA(4−) (CHEBI:76368)
Incoming Relation(s)
(4Z,7Z,10Z,13Z,16Z)-docosapentaenoyl-CoA(4−) (CHEBI:76368) is conjugate base of (4Z,7Z,10Z,13Z,16Z)-docosapentaenoyl-CoA (CHEBI:76450)
IUPAC Name 
3'-phosphoadenosine 5'-{3-[(3R)-4-({3-[(2-{[(4Z,7Z,10Z,13Z,16Z)-docosa-4,7,10,13,16-pentaenoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-3-hydroxy-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate}
Synonyms  Source
(4Z,7Z,10Z,13Z,16Z)-docosapentaenoyl-coenzyme AChEBI
Docosa-4,7,10,13,16-pentaenoyl coenzyme AHMDB
Manual XrefsDatabases
C16173KEGG COMPOUND
HMDB0006513HMDB