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

ChEBI IDCHEBI:89770
ChEBI Name3-trans,5-cis-Octadienoyl-CoA
Stars
DownloadsMolfile
FormulaC30H48N7O16P3S
Net Charge0
Average Mass887.736
Monoisotopic Mass887.20911
SMILESCCC/C=C\C=C\C(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1OC(n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1CP(=O)(O)O
InChIInChI=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
InChIKeyYHRBHCTXYJGORE-OHKXNCGGSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) blood (UBERON:0000178) PubMed (21359215)
Roles Classification
Biological Role:
mouse metabolite  Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
ChEBI Ontology
Outgoing Relation(s)
3-trans,5-cis-Octadienoyl-CoA (CHEBI:89770) is a purine nucleoside diphosphate (CHEBI:26391)
Synonyms  Source
{[(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 acidHMDB
S-[(3E,5Z)-3,5-OctadienoateHMDB
S-[(3E,5Z)-3,5-Octadienoate Coenzyme AHMDB
S-[(3E,5Z)-3,5-Octadienoate CoAHMDB
S-[(3E,5Z)-3,5-Octadienoic acidHMDB
Manual XrefsDatabases
HMDB0002185HMDB
Registry NumbersSources
CAS:214769-63-8KEGG COMPOUND
Citations