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CHEBI:81456 - Ethylmalonyl-CoA

ChEBI IDCHEBI:81456
ChEBI NameEthylmalonyl-CoA
Stars
DownloadsMolfile
FormulaC26H42N7O19P3S
Net Charge0
Average Mass881.641
Monoisotopic Mass881.14690
SMILESCCC(C(=O)O)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
InChIInChI=1S/C26H42N7O19P3S/c1-4-13(24(38)39)25(40)56-8-7-28-15(34)5-6-29-22(37)19(36)26(2,3)10-49-55(46,47)52-54(44,45)48-9-14-18(51-53(41,42)43)17(35)23(50-14)33-12-32-16-20(27)30-11-31-21(16)33/h11-14,17-19,23,35-36H,4-10H2,1-3H3,(H,28,34)(H,29,37)(H,38,39)(H,44,45)(H,46,47)(H2,27,30,31)(H2,41,42,43)/t13?,14-,17-,18-,19?,23-/m1/s1
InChIKeyVUGZQVCBBBEZQE-VRQRJWBYSA-N
ChEBI Ontology
Outgoing Relation(s)
Ethylmalonyl-CoA (CHEBI:81456) is a polyol (CHEBI:26191)
Synonym  Source
Ethylmalonyl coenzyme AKEGG COMPOUND
Manual XrefsDatabases
C18026KEGG COMPOUND