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CHEBI:167865 - 4-[2,6-dimethyl-(2E,6E)-octadienoyl-CoA]-5-O-methyl-3-hydroxy-6-methyl-phthalide(4−)

ChEBI IDCHEBI:167865
ChEBI Name4-[2,6-dimethyl-(2E,6E)-octadienoyl-CoA]-5-O-methyl-3-hydroxy-6-methyl-phthalide(4−)
Stars
ASCII Name4-[2,6-dimethyl-(2E,6E)-octadienoyl-CoA]-5-O-methyl-3-hydroxy-6-methyl-phthalide(4-)
Submitterlaimo
DownloadsMolfile
FormulaC41H54N7O21P3S
Net Charge-4
Average Mass1105.900
Monoisotopic Mass1105.23283
SMILESCOc1c(C)c2c(c(O)c1C/C=C(\C)CC/C=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/C41H58N7O21P3S/c1-21(10-11-24-30(50)28-25(16-64-39(28)54)23(3)32(24)63-6)8-7-9-22(2)40(55)73-15-14-43-27(49)12-13-44-37(53)34(52)41(4,5)18-66-72(61,62)69-71(59,60)65-17-26-33(68-70(56,57)58)31(51)38(67-26)48-20-47-29-35(42)45-19-46-36(29)48/h9-10,19-20,26,31,33-34,38,50-52H,7-8,11-18H2,1-6H3,(H,43,49)(H,44,53)(H,59,60)(H,61,62)(H2,42,45,46)(H2,56,57,58)/p-4/b21-10+,22-9+/t26-,31-,33-,34+,38-/m1/s1
InChIKeyLLDOTYOQNHDNEU-IWNRUFMLSA-J
ChEBI Ontology
Outgoing Relation(s)
4-[2,6-dimethyl-(2E,6E)-octadienoyl-CoA]-5-O-methyl-3-hydroxy-6-methyl-phthalide(4−) (CHEBI:167865) is a 2,3-trans-enoyl CoA(4−) (CHEBI:58856)
Synonyms  Source
4-[(2E,6E)-2,6-dimethyl-octadienoyl-CoA]-5-O-methyl-3-hydroxy-6-methyl-phthalide(4−)SUBMITTER
MFDHMP-5C-CoA(4−)SUBMITTER
UniProt Name  Source
(2E,6E)-8-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1,3-dihydro-2-benzofuran-5-yl)-2,6-dimethylocta-2,6-dienoyl-CoAUniProt
Citations