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CHEBI:167447 - mycophenolyl-CoA(4−)

ChEBI IDCHEBI:167447
ChEBI Namemycophenolyl-CoA(4−)
Stars
ASCII Namemycophenolyl-CoA(4-)
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC38H50N7O21P3S
Net Charge-4
Average Mass1065.835
Monoisotopic Mass1065.20153
SMILESCOc1c(C)c2c(c(O)c1C/C=C(\C)CCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(=O)([O-])OP(=O)([O-])OC[C@H]1O[C@@H](n3cnc4c(N)ncnc43)[C@H](O)[C@@H]1OP(=O)([O-])[O-])C(=O)OC2
InChIInChI=1S/C38H54N7O21P3S/c1-19(6-8-21-28(48)26-22(14-61-37(26)52)20(2)30(21)60-5)7-9-25(47)70-13-12-40-24(46)10-11-41-35(51)32(50)38(3,4)16-63-69(58,59)66-68(56,57)62-15-23-31(65-67(53,54)55)29(49)36(64-23)45-18-44-27-33(39)42-17-43-34(27)45/h6,17-18,23,29,31-32,36,48-50H,7-16H2,1-5H3,(H,40,46)(H,41,51)(H,56,57)(H,58,59)(H2,39,42,43)(H2,53,54,55)/p-4/b19-6+/t23-,29-,31-,32+,36-/m1/s1
InChIKeyRZGVYPYOUBIPOV-NMQLJLOUSA-J
ChEBI Ontology
Outgoing Relation(s)
mycophenolyl-CoA(4−) (CHEBI:167447) is a acyl-CoA(4−) (CHEBI:58342)
UniProt Name  Source
mycophenolyl-CoAUniProt
Citations