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CHEBI:167867 - 4-[3-oxo-2,6-dimethyl-(6E)-octenoyl-CoA]-5-O-methyl-3-hydroxy-6-methyl-phthalide(4−)

ChEBI IDCHEBI:167867
ChEBI Name4-[3-oxo-2,6-dimethyl-(6E)-octenoyl-CoA]-5-O-methyl-3-hydroxy-6-methyl-phthalide(4−)
Stars
ASCII Name4-[3-oxo-2,6-dimethyl-(6E)-octenoyl-CoA]-5-O-methyl-3-hydroxy-6-methyl-phthalide(4-)
Submitterlaimo
DownloadsMolfile
FormulaC41H54N7O22P3S
Net Charge-4
Average Mass1121.899
Monoisotopic Mass1121.22774
SMILESCOc1c(C)c2c(c(O)c1C/C=C(\C)CCC(=O)C(C)C(=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/C41H58N7O22P3S/c1-20(7-9-23-30(51)28-24(15-65-39(28)55)21(2)32(23)64-6)8-10-25(49)22(3)40(56)74-14-13-43-27(50)11-12-44-37(54)34(53)41(4,5)17-67-73(62,63)70-72(60,61)66-16-26-33(69-71(57,58)59)31(52)38(68-26)48-19-47-29-35(42)45-18-46-36(29)48/h7,18-19,22,26,31,33-34,38,51-53H,8-17H2,1-6H3,(H,43,50)(H,44,54)(H,60,61)(H,62,63)(H2,42,45,46)(H2,57,58,59)/p-4/b20-7+/t22?,26-,31-,33-,34+,38-/m1/s1
InChIKeyWUXXARPEBCEAPX-YJWBSMDXSA-J
ChEBI Ontology
Outgoing Relation(s)
4-[3-oxo-2,6-dimethyl-(6E)-octenoyl-CoA]-5-O-methyl-3-hydroxy-6-methyl-phthalide(4−) (CHEBI:167867) is a 3-oxoacyl-CoA(4−) (CHEBI:90726)
Synonyms  Source
4-[(6E)-3-oxo-2,6-dimethyloctenoyl-CoA]-5-O-methyl-3-hydroxy-6-methyl-phthalide(4−)SUBMITTER
3-oxo-MFDHMP-5C-CoA(4−)SUBMITTER
UniProt Name  Source
(6E)-8-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1,3-dihydro-2-benzofuran-5-yl)-3-oxo-2,6-dimethyloct-6-enoyl-CoAUniProt
Citations