CHEBI:167447 - mycophenolyl-CoA(4−)

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name mycophenolyl-CoA(4−)
ChEBI ID CHEBI:167447
ChEBI ASCII Name mycophenolyl-CoA(4-)
Stars This entity has been manually annotated by a third party.
Submitter Kristian Axelsen
Supplier Information
Download Molfile XML SDF
Formula C38H50N7O21P3S
Net Charge -4
Average Mass 1065.830
Monoisotopic Mass 1065.20153
InChI InChI=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
InChIKey RZGVYPYOUBIPOV-NMQLJLOUSA-J
SMILES C1(=C(C(=C2C(=C1C)COC2=O)O)C/C=C(\C)/CCC(SCCNC(CCNC(=O)[C@@H](C(COP(OP(OC[C@H]3O[C@@H](N4C5=C(C(=NC=N5)N)N=C4)[C@@H]([C@@H]3OP([O-])([O-])=O)O)(=O)[O-])(=O)[O-])(C)C)O)=O)=O)OC
ChEBI Ontology
Outgoing mycophenolyl-CoA(4−) (CHEBI:167447) is a acyl-CoA(4−) (CHEBI:58342)
Synonym Source
mycophenolyl-CoA UniProt
Citation Waiting for Citations Type Source
31209052 PubMed citation SUBMITTER