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CHEBI:29469 - 2,6-Dimethyl-5-methylene-3-oxo-heptanoyl-CoA

ChEBI IDCHEBI:29469
ChEBI Name2,6-Dimethyl-5-methylene-3-oxo-heptanoyl-CoA
Stars
Last Modified27 January 2016
DownloadsMolfile
FormulaC31H50N7O18P3S
Net Charge0
Average Mass933.761
Monoisotopic Mass933.21459
SMILESC=C(CC(=O)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](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)C(C)C
InChIInChI=1S/C31H50N7O18P3S/c1-16(2)17(3)11-19(39)18(4)30(44)60-10-9-33-21(40)7-8-34-28(43)25(42)31(5,6)13-53-59(50,51)56-58(48,49)52-12-20-24(55-57(45,46)47)23(41)29(54-20)38-15-37-22-26(32)35-14-36-27(22)38/h14-16,18,20,23-25,29,41-42H,3,7-13H2,1-2,4-6H3,(H,33,40)(H,34,43)(H,48,49)(H,50,51)(H2,32,35,36)(H2,45,46,47)/t18?,20-,23-,24-,25?,29-/m1/s1
InChIKeyZDNHBFFDLIHLER-RUGIFTTKSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) - PubMed (19425150) Source: BioModels - MODEL1507180067
ChEBI Ontology
Outgoing Relation(s)
2,6-Dimethyl-5-methylene-3-oxo-heptanoyl-CoA (CHEBI:29469) is a organic molecule (CHEBI:72695)
Synonym  Source
2,6-Dimethyl-5-methylene-3-oxo-heptanoyl-CoAKEGG COMPOUND
Manual XrefsDatabases
C11948KEGG COMPOUND