EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:167864 - 4-(3-oxofarnesoyl-CoA)-5-O-methyl-3-hydroxy-6-methyl-phthalide(4−)

ChEBI IDCHEBI:167864
ChEBI Name4-(3-oxofarnesoyl-CoA)-5-O-methyl-3-hydroxy-6-methyl-phthalide(4−)
Stars
ASCII Name4-(3-oxofarnesoyl-CoA)-5-O-methyl-3-hydroxy-6-methyl-phthalide(4-)
Submitterlaimo
DownloadsMolfile
FormulaC43H56N7O22P3S
Net Charge-4
Average Mass1147.937
Monoisotopic Mass1147.24339
SMILESCOc1c(C)c2c(c(O)c1C/C=C(\C)CC/C=C(\C)C(=O)CC(=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/C43H60N7O22P3S/c1-22(10-11-25-33(54)31-26(17-67-42(31)58)24(3)35(25)66-6)8-7-9-23(2)27(51)16-30(53)76-15-14-45-29(52)12-13-46-40(57)37(56)43(4,5)19-69-75(64,65)72-74(62,63)68-18-28-36(71-73(59,60)61)34(55)41(70-28)50-21-49-32-38(44)47-20-48-39(32)50/h9-10,20-21,28,34,36-37,41,54-56H,7-8,11-19H2,1-6H3,(H,45,52)(H,46,57)(H,62,63)(H,64,65)(H2,44,47,48)(H2,59,60,61)/p-4/b22-10+,23-9+/t28-,34-,36-,37+,41-/m1/s1
InChIKeyYEAMCDUFAYUNPX-GUJHICRLSA-J
ChEBI Ontology
Outgoing Relation(s)
4-(3-oxofarnesoyl-CoA)-5-O-methyl-3-hydroxy-6-methyl-phthalide(4−) (CHEBI:167864) is a 3-oxoacyl-CoA(4−) (CHEBI:90726)
Synonyms  Source
4-[3-oxo-4,8-dimethyl-(4E,8E)-decadienoyl-CoA]-5-O-methyl-3-hydroxy-6-methyl-phthalide(4−)SUBMITTER
3-oxo-MFDHMP-3C-CoA(4−)SUBMITTER
UniProt Name  Source
(4E,8E)-10-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1,3-dihydro-2-benzofuran-5-yl)-3-oxo-4,8-dimethyldeca-4,8-dienoyl-CoAUniProt
Citations