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CHEBI:29483 - 3-Isopropylbut-3-enoyl-CoA

ChEBI IDCHEBI:29483
ChEBI Name3-Isopropylbut-3-enoyl-CoA
Stars
Last Modified27 January 2016
DownloadsMolfile
FormulaC28H46N7O17P3S
Net Charge0
Average Mass877.697
Monoisotopic Mass877.18837
SMILESC=C(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)C(C)C
InChIInChI=1S/C28H46N7O17P3S/c1-15(2)16(3)10-19(37)56-9-8-30-18(36)6-7-31-26(40)23(39)28(4,5)12-49-55(46,47)52-54(44,45)48-11-17-22(51-53(41,42)43)21(38)27(50-17)35-14-34-20-24(29)32-13-33-25(20)35/h13-15,17,21-23,27,38-39H,3,6-12H2,1-2,4-5H3,(H,30,36)(H,31,40)(H,44,45)(H,46,47)(H2,29,32,33)(H2,41,42,43)/t17-,21-,22-,23?,27-/m1/s1
InChIKeyWVYOQRLDVNRMEW-AXEMQUGESA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) - PubMed (19425150) Source: BioModels - MODEL1507180067
ChEBI Ontology
Outgoing Relation(s)
3-Isopropylbut-3-enoyl-CoA (CHEBI:29483) is a organic molecule (CHEBI:72695)
Synonym  Source
3-Isopropylbut-3-enoyl-CoAKEGG COMPOUND
Manual XrefsDatabases
C11949KEGG COMPOUND