2-hydroxy-7-methoxy-5-methyl-1-naphthoyl-CoA
Chemical Formula:
C34H42N7O19P3S
Molecular Weight:
977.723 Daltons
Monoisotopic Mass:
981.1782025529 Daltons
SMILES:
CC1(C2(=C(C=C(OC)C=1)C(=C(O)C=C2)C(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(OP(=O)(OCC3(C(OP([O-])(=O)[O-])C(O)C(O3)N5(C4(=C(C(N)=NC=N4)N=C5))))[O-])[O-]))
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
InChIKey:
Databases
MetaCyc:
CPD-16521
ChEBI:
78376
PubChem (CID):
86289564
MetaNetX:
MNXM146343
KEGG:
C20842