CHEBI:89770 - 3-trans,5-cis-Octadienoyl-CoA

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ChEBI Name 3-trans,5-cis-Octadienoyl-CoA ChEBI ID CHEBI:89770 Stars This entity has been manually annotated by a third party. 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 C30H48N7O16P3S Net Charge 0 Average Mass 887.728 Monoisotopic Mass 887.20911 InChI InChI=1S/C30H48N7O16P3S/c1-4-5-6-7-8-9-22(39)57-13-12-32-21(38)10-11-33-28(42)25(41)30(2,3)16-51-56(48,49)53-55(46,47)50-14-20-19(15-54(43,44)45)24(40)29(52-20)37-18-36-23-26(31)34-17-35-27(23)37/h6-9,17-20,24-25,29,40-41H,4-5,10-16H2,1-3H3,(H,32,38)(H,33,42)(H,46,47)(H,48,49)(H2,31,34,35)(H2,43,44,45)/b7-6-,9-8+/t19-,20-,24-,25?,29?/m1/s1 InChIKey YHRBHCTXYJGORE-OHKXNCGGSA-N SMILES N1=CN=C2C(=C1N)N=CN2[C@@H]3O[C@@H]([C@H]([C@H]3O)CP(O)(O)=O)COP(OP(OCC(C(C(NCCC(NCCSC(/C=C/C=C\CCC)=O)=O)=O)O)(C)C)(=O)O)(=O)O Metabolite of Species Details Homo sapiens (NCBI:txid9606) Found in blood (UBERON:0000178). See: PubMed Roles Classification Biological Role(s): mouse metabolite Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus). (via nucleoside 5'-diphosphate ) View more via ChEBI Ontology ChEBI Ontology Outgoing 3-trans,5-cis-Octadienoyl-CoA (CHEBI:89770) is a purine nucleoside diphosphate (CHEBI:26391) Synonyms Sources S-[(3E,5Z)-3,5-Octadienoate HMDB S-[(3E,5Z)-3,5-Octadienoate CoA HMDB S-[(3E,5Z)-3,5-Octadienoate Coenzyme A HMDB S-[(3E,5Z)-3,5-Octadienoic acid HMDB {[(2S,3S,4R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-2-({[hydroxy({[hydroxy(3-hydroxy-2,2-dimethyl-3-{[2-({2-[(2E,4Z)-octa-2,4-dienoylsulfanyl]ethyl}carbamoyl)ethyl]carbamoyl}propoxy)phosphoryl]oxy})phosphoryl]oxy}methyl)oxolan-3-yl]methyl}phosphonic acid HMDB Manual Xref Database HMDB0002185 HMDB View more database links Registry Number Type Source 214769-63-8 CAS Registry Number KEGG COMPOUND Citations Types Sources 1495956 PubMed citation Europe PMC 21359215 PubMed citation Europe PMC 513983 PubMed citation Europe PMC 9506993 PubMed citation Europe PMC