CHEBI:167866 - 4-[(3R)-hydroxy-2,6-dimethyl-(6E)-octenoyl-CoA]-5-O-methyl-3-hydroxy-6-methyl-phthalide(4−)

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ChEBI Name 4-[(3R)-hydroxy-2,6-dimethyl-(6E)-octenoyl-CoA]-5-O-methyl-3-hydroxy-6-methyl-phthalide(4−)
ChEBI ID CHEBI:167866
ChEBI ASCII Name 4-[(3R)-hydroxy-2,6-dimethyl-(6E)-octenoyl-CoA]-5-O-methyl-3-hydroxy-6-methyl-phthalide(4-)
Stars This entity has been manually annotated by a third party.
Submitter laimo
Supplier Information
Download Molfile XML SDF
Formula C41H56N7O22P3S
Net Charge -4
Average Mass 1123.910
Monoisotopic Mass 1123.24339
InChI InChI=1S/C41H60N7O22P3S/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/h7,18-19,22,25-26,31,33-34,38,49,51-53H,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?,25-,26-,31-,33-,34+,38-/m1/s1
InChIKey LPOJLZMDWMNADL-CDWCRHLESA-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@@H](CC\C(=C\CC4=C(C(=C5C(=C4O)C(OC5)=O)C)OC)\C)O)C)=O)=O)=O)O)C)(=O)[O-])(=O)[O-])[C@H]([C@H]1O)OP([O-])([O-])=O
ChEBI Ontology
Outgoing 4-[(3R)-hydroxy-2,6-dimethyl-(6E)-octenoyl-CoA]-5-O-methyl-3-hydroxy-6-methyl-phthalide(4−) (CHEBI:167866) is a (R)-3-hydroxyacyl-CoA(4−) (CHEBI:57319)
Synonyms Sources
(6E)-8-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1,3-dihydro-2-benzofuran-5-yl)-(3R)-hydroxy-2,6-dimethyloct-6-enoyl-CoA UniProt
3R-OH-MFDHMP-5C-CoA(4−) SUBMITTER
4-[(6E,3R)-hydroxy-2,6-dimethyl-octenoyl-CoA]-5-O-methyl-3-hydroxy-6-methyl-phthalide(4−) SUBMITTER
Citation Waiting for Citations Type Source
31209052 PubMed citation SUBMITTER