CHEBI:90362 - 2-methylhexenoyl-CoA

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ChEBI Name 2-methylhexenoyl-CoA ChEBI ID CHEBI:90362 Definition A 2-enoyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of 2-methylhexenoic acid. Stars This entity has been manually annotated by the ChEBI Team. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C28H46N7O17P3S Net Charge 0 Average Mass 877.690 Monoisotopic Mass 877.18838 InChI InChI=1S/C28H46N7O17P3S/c1-5-6-7-16(2)27(40)56-11-10-30-18(36)8-9-31-25(39)22(38)28(3,4)13-49-55(46,47)52-54(44,45)48-12-17-21(51-53(41,42)43)20(37)26(50-17)35-15-34-19-23(29)32-14-33-24(19)35/h7,14-15,17,20-22,26,37-38H,5-6,8-13H2,1-4H3,(H,30,36)(H,31,39)(H,44,45)(H,46,47)(H2,29,32,33)(H2,41,42,43)/t17-,20-,21-,22+,26-/m1/s1 InChIKey MIAFVRYGHZDNEJ-TYHXJLICSA-N SMILES [C@@H]1(N2C3=C(C(=NC=N3)N)N=C2)O[C@H](COP(OP(OCC(C)([C@H](C(NCCC(NCCSC(C(=CCCC)C)=O)=O)=O)O)C)(=O)O)(=O)O)[C@H]([C@H]1O)OP(O)(O)=O Metabolite of Species Details Homo sapiens (NCBI:txid9606) 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): human metabolite Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens). View more via ChEBI Ontology ChEBI Ontology Outgoing 2-methylhexenoyl-CoA (CHEBI:90362) has role human metabolite (CHEBI:77746) 2-methylhexenoyl-CoA (CHEBI:90362) is a 2-enoyl-CoA (CHEBI:19573) 2-methylhexenoyl-CoA (CHEBI:90362) is a medium-chain fatty acyl-CoA (CHEBI:61907) 2-methylhexenoyl-CoA (CHEBI:90362) is a methyl-branched fatty acyl-CoA (CHEBI:25271) 2-methylhexenoyl-CoA (CHEBI:90362) is a monounsaturated fatty acyl-CoA (CHEBI:139575) 2-methylhexenoyl-CoA (CHEBI:90362) is conjugate acid of 2-methylhexenoyl-CoA(4−) (CHEBI:90157) Incoming 2-methylhexenoyl-CoA(4−) (CHEBI:90157) is conjugate base of 2-methylhexenoyl-CoA (CHEBI:90362) IUPAC Name 3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-{[3-({2-[(2-methylhexenoyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-4-oxobutyl] dihydrogen diphosphate} Synonym Source 2-methylhexenoyl-coenzyme A ChEBI Citation Type Source 7698750 PubMed citation Europe PMC Last Modified 05 February 2018