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2-hydroxy-7-methoxy-5-methyl-1-naphthoyl-CoA

Properties

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Occurences in reactions

MNX_ID

MNXM146343

	#reac
in my sandbox	0
in MNXref (generic)	1
in models (compartimentalized)	0

formula

C₃₄H₄₂N₇O₁₉P₃S

charge

-4

mass

977.1491

reference

chebi:78376

InChIKey

NZEXFTJEVMQGIT-GMHMEAMDSA-J

InChI

InChI=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

SMILES

COc1cc(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

Parent-child relations graph

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Similar chemical compounds in external resources
Identifier	Description
CHEBI:78376 chebi:78376	2-hydroxy-7-methoxy-5-methyl-1-naphthoyl-CoA 2-hydroxy-7-methoxy-5-methyl-1-naphthoyl-CoA(4-) 2-hydroxy-7-methoxy-5-methyl-1-naphthoyl-coenzyme A(4-)
kegg.compound:C20842 keggC:C20842	2-Hydroxy-7-methoxy-5-methyl-1-naphthoyl-CoA
metacyc.compound:CPD-16521 metacycM:CPD-16521 seed.compound:cpd31744 seedM:cpd31744	2-hydroxy-7-methoxy-5-methyl-1-naphthoyl-CoA
CHEBI:79293 chebi:79293	2-hydroxy-7-methoxy-5-methyl-1-naphthoyl-CoA 2-hydroxy-7-methoxy-5-methyl-1-naphthoyl-coenzyme A 3'-phosphoadenosine 5'-{3-[(3R)3-hydroxy-4-{[3-({2-[(2-hydroxy-7-methoxy-5-methyl-1-naphthoyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate}
keggC:M_C20842 seedM:M_cpd31744	secondary/obsolete/fantasy identifier