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

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 3-Isopropylbut-3-enoyl-CoA
ChEBI ID CHEBI:29483
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C28H46N7O17P3S
Net Charge 0
Average Mass 877.690
Monoisotopic Mass 877.18838
InChI InChI=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
InChIKey WVYOQRLDVNRMEW-AXEMQUGESA-N
SMILES CC(C)C(=C)CC(=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 3-Isopropylbut-3-enoyl-CoA (CHEBI:29483) is a organic molecule (CHEBI:72695)
Synonym Source
3-Isopropylbut-3-enoyl-CoA KEGG COMPOUND
Manual Xref Database
C11949 KEGG COMPOUND
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Last Modified
27 January 2016