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

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ChEBI Name 4-[2,6-dimethyl-(2E,6E)-octadienoyl-CoA]-5-O-methyl-3-hydroxy-6-methyl-phthalide(4−)
ChEBI ID CHEBI:167865
ChEBI ASCII Name 4-[2,6-dimethyl-(2E,6E)-octadienoyl-CoA]-5-O-methyl-3-hydroxy-6-methyl-phthalide(4-)
Stars This entity has been manually annotated by a third party.
Submitter Lucila Aimo
Supplier Information
Download Molfile XML SDF
Formula C41H54N7O21P3S
Net Charge -4
Average Mass 1105.890
Monoisotopic Mass 1105.23283
InChI InChI=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
InChIKey LLDOTYOQNHDNEU-IWNRUFMLSA-J
SMILES [C@@H]1(N2C3=C(C(=NC=N3)N)N=C2)O[C@H](COP(OP(OCC(C)([C@H](C(NCCC(NCCSC(\C(=C\CC\C(=C\CC4=C(C(=C5C(=C4O)C(OC5)=O)C)OC)\C)\C)=O)=O)=O)O)C)(=O)[O-])(=O)[O-])[C@H]([C@H]1O)OP([O-])([O-])=O
ChEBI Ontology
Outgoing 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 Sources
(2E,6E)-8-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1,3-dihydro-2-benzofuran-5-yl)-2,6-dimethylocta-2,6-dienoyl-CoA UniProt
4-[(2E,6E)-2,6-dimethyl-octadienoyl-CoA]-5-O-methyl-3-hydroxy-6-methyl-phthalide(4−) SUBMITTER
MFDHMP-5C-CoA(4−) SUBMITTER
Citation Waiting for Citations Type Source
31209052 PubMed citation SUBMITTER