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CHEBI:78376 - 2-hydroxy-7-methoxy-5-methyl-1-naphthoyl-CoA(4−)

ChEBI IDCHEBI:78376
ChEBI Name2-hydroxy-7-methoxy-5-methyl-1-naphthoyl-CoA(4−)
Stars
ASCII Name2-hydroxy-7-methoxy-5-methyl-1-naphthoyl-CoA(4-)
DefinitionAn acyl-CoA(4−) arising from deprotonation of the phosphate and diphosphate OH groups of 2-hydroxy-7-methoxy-5-methyl-1-naphthoyl-CoA; major species at pH 7.3.
Last Modified18 July 2014
SubmitterKAX
DownloadsMolfile
FormulaC34H42N7O19P3S
Net Charge-4
Average Mass977.729
Monoisotopic Mass977.14910
SMILESCOc1cc(C)c2ccc(O)c(C(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(=O)([O-])OP(=O)([O-])OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3OP(=O)([O-])[O-])c2c1
InChIInChI=1S/C34H46N7O19P3S/c1-17-11-18(55-4)12-20-19(17)5-6-21(42)24(20)33(47)64-10-9-36-23(43)7-8-37-31(46)28(45)34(2,3)14-57-63(53,54)60-62(51,52)56-13-22-27(59-61(48,49)50)26(44)32(58-22)41-16-40-25-29(35)38-15-39-30(25)41/h5-6,11-12,15-16,22,26-28,32,42,44-45H,7-10,13-14H2,1-4H3,(H,36,43)(H,37,46)(H,51,52)(H,53,54)(H2,35,38,39)(H2,48,49,50)/p-4/t22-,26-,27-,28+,32-/m1/s1
InChIKeyNZEXFTJEVMQGIT-GMHMEAMDSA-J
ChEBI Ontology
Outgoing Relation(s)
2-hydroxy-7-methoxy-5-methyl-1-naphthoyl-CoA(4−) (CHEBI:78376) is a acyl-CoA(4−) (CHEBI:58342)
2-hydroxy-7-methoxy-5-methyl-1-naphthoyl-CoA(4−) (CHEBI:78376) is conjugate base of 2-hydroxy-7-methoxy-5-methyl-1-naphthoyl-CoA (CHEBI:79293)
Incoming Relation(s)
2-hydroxy-7-methoxy-5-methyl-1-naphthoyl-CoA (CHEBI:79293) is conjugate acid of 2-hydroxy-7-methoxy-5-methyl-1-naphthoyl-CoA(4−) (CHEBI:78376)
Synonym  Source
2-hydroxy-7-methoxy-5-methyl-1-naphthoyl-coenzyme A(4−)ChEBI
UniProt Name  Source
2-hydroxy-7-methoxy-5-methyl-1-naphthoyl-CoAUniProt
Manual XrefsDatabases
CPD-16521MetaCyc
Citations