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

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ChEBI Name (4Z,7Z,10Z,13Z,16Z)-docosapentaenoyl-CoA
ChEBI ID CHEBI:76450
ChEBI ASCII Name (4Z,7Z,10Z,13Z,16Z)-docosapentaenoyl-CoA
Definition An 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
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C43H68N7O17P3S
Net Charge 0
Average Mass 1080.02300
Monoisotopic Mass 1079.36053
InChI InChI=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
InChIKey QKBTYZDPVNTERQ-UWVCYPHHSA-N
SMILES CCCCC\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]([C@H](O)[C@@H]1OP(O)(O)=O)n1cnc2c(N)ncnc12
Metabolite of Species Details
Mus musculus (NCBI:txid10090) Source: BioModels - MODEL1507180067 See: PubMed
Roles Classification
Chemical Role(s): acyl donor
Any donor that can transfer acyl groups between molecular entities.
(via acyl-CoA )
Biological Role(s): mouse metabolite
Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
View more via ChEBI Ontology
ChEBI Ontology
Outgoing (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 (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 Sources
(4Z,7Z,10Z,13Z,16Z)-docosapentaenoyl-coenzyme A ChEBI
Docosa-4,7,10,13,16-pentaenoyl coenzyme A HMDB
Manual Xrefs Databases
C16173 KEGG COMPOUND
HMDB0006513 HMDB
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Last Modified
27 January 2016