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CHEBI:167862 - 4-[4,8-dimethyl-(2E,4E,8E)-decatrienoyl-CoA]-5-O-methyl-3-hydroxy-6-methyl-phthalide(4−)

ChEBI IDCHEBI:167862
ChEBI Name4-[4,8-dimethyl-(2E,4E,8E)-decatrienoyl-CoA]-5-O-methyl-3-hydroxy-6-methyl-phthalide(4−)
Stars
ASCII Name4-[4,8-dimethyl-(2E,4E,8E)-decatrienoyl-CoA]-5-O-methyl-3-hydroxy-6-methyl-phthalide(4-)
Submitterlaimo
DownloadsMolfile
FormulaC43H56N7O21P3S
Net Charge-4
Average Mass1131.938
Monoisotopic Mass1131.24848
SMILESCOc1c(C)c2c(c(O)c1C/C=C(\C)CC/C=C(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/C43H60N7O21P3S/c1-23(10-12-26-33(53)31-27(18-66-42(31)57)25(3)35(26)65-6)8-7-9-24(2)11-13-30(52)75-17-16-45-29(51)14-15-46-40(56)37(55)43(4,5)20-68-74(63,64)71-73(61,62)67-19-28-36(70-72(58,59)60)34(54)41(69-28)50-22-49-32-38(44)47-21-48-39(32)50/h9-11,13,21-22,28,34,36-37,41,53-55H,7-8,12,14-20H2,1-6H3,(H,45,51)(H,46,56)(H,61,62)(H,63,64)(H2,44,47,48)(H2,58,59,60)/p-4/b13-11+,23-10+,24-9+/t28-,34-,36-,37+,41-/m1/s1
InChIKeyLYCYPKPOYMXTPA-BSYISINFSA-J
ChEBI Ontology
Outgoing Relation(s)
4-[4,8-dimethyl-(2E,4E,8E)-decatrienoyl-CoA]-5-O-methyl-3-hydroxy-6-methyl-phthalide(4−) (CHEBI:167862) is a 2,3-trans-enoyl CoA(4−) (CHEBI:58856)
Synonyms  Source
4-(2E-farnesoyl-CoA)-5-O-methyl-3-hydroxy-6-methyl-phthalide(4−)SUBMITTER
2E-MFDHMP-3C-CoA(4−)SUBMITTER
UniProt Name  Source
(2E,4E,8E)-10-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1,3-dihydro-2-benzofuran-5-yl)-4,8-dimethyldeca-2,4,8-trienoyl-CoAUniProt
Citations