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CHEBI:80512 - 3-Hydroxy-5-methylhex-4-enoyl-CoA

ChEBI IDCHEBI:80512
ChEBI Name3-Hydroxy-5-methylhex-4-enoyl-CoA
Stars
Last Modified27 January 2016
DownloadsMolfile
FormulaC28H46N7O18P3S
Net Charge0
Average Mass893.696
Monoisotopic Mass893.18329
SMILESCC(C)=CC(O)CC(=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
InChIInChI=1S/C28H46N7O18P3S/c1-15(2)9-16(36)10-19(38)57-8-7-30-18(37)5-6-31-26(41)23(40)28(3,4)12-50-56(47,48)53-55(45,46)49-11-17-22(52-54(42,43)44)21(39)27(51-17)35-14-34-20-24(29)32-13-33-25(20)35/h9,13-14,16-17,21-23,27,36,39-40H,5-8,10-12H2,1-4H3,(H,30,37)(H,31,41)(H,45,46)(H,47,48)(H2,29,32,33)(H2,42,43,44)/t16?,17-,21-,22-,23?,27-/m1/s1
InChIKeyOLZYNLSKRKFUJC-GPZVIVARSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) - PubMed (19425150) Source: BioModels - MODEL1507180067
ChEBI Ontology
Outgoing Relation(s)
3-Hydroxy-5-methylhex-4-enoyl-CoA (CHEBI:80512) is a polyol (CHEBI:26191)
Manual XrefsDatabases
C16469KEGG COMPOUND