CHEBI:29742 - trans-2-Methyl-5-isopropylhexa-2,5-dienoyl-CoA

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name trans-2-Methyl-5-isopropylhexa-2,5-dienoyl-CoA
ChEBI ID CHEBI:29742
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C31H50N7O17P3S
Net Charge 0
Average Mass 917.754
Monoisotopic Mass 917.21968
InChI InChI=1S/C31H50N7O17P3S/c1-17(2)18(3)7-8-19(4)30(43)59-12-11-33-21(39)9-10-34-28(42)25(41)31(5,6)14-52-58(49,50)55-57(47,48)51-13-20-24(54-56(44,45)46)23(40)29(53-20)38-16-37-22-26(32)35-15-36-27(22)38/h8,15-17,20,23-25,29,40-41H,3,7,9-14H2,1-2,4-6H3,(H,33,39)(H,34,42)(H,47,48)(H,49,50)(H2,32,35,36)(H2,44,45,46)/b19-8+/t20-,23-,24-,25?,29-/m1/s1
InChIKey MPYXOYHSKAAPLW-WIBDGYJISA-N
SMILES CC(C)C(=C)C\C=C(/C)C(=O)SCCNC(=O)CCNC(=O)C(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
ChEBI Ontology
Outgoing trans-2-Methyl-5-isopropylhexa-2,5-dienoyl-CoA (CHEBI:29742) is a organic molecule (CHEBI:72695)
Synonym Source
trans-2-Methyl-5-isopropylhexa-2,5-dienoyl-CoA KEGG COMPOUND
Manual Xref Database
C11945 KEGG COMPOUND
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Last Modified
27 January 2016