1,4-dihydroxy-2-naphthoyl-CoA
Chemical Formula:
C32H38N7O19P3S
Molecular Weight:
949.669 Daltons
Monoisotopic Mass:
953.1469024245 Daltons
SMILES:
CC(C)(C(O)C(=O)NCCC(=O)NCCSC(C2(C=C(O)C1(=CC=CC=C1C(O)=2)))=O)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/C32H42N7O19P3S/c1-32(2,26(44)29(45)35-8-7-21(41)34-9-10-62-31(46)18-11-19(40)16-5-3-4-6-17(16)23(18)42)13-55-61(52,53)58-60(50,51)54-12-20-25(57-59(47,48)49)24(43)30(56-20)39-15-38-22-27(33)36-14-37-28(22)39/h3-6,11,14-15,20,24-26,30,40,42-44H,7-10,12-13H2,1-2H3,(H,34,41)(H,35,45)(H,50,51)(H,52,53)(H2,33,36,37)(H2,47,48,49)/p-4/t20-,24-,25-,26+,30-/m1/s1
InChIKey:
Synonyms
- 1,4-dihydroxy-2-naphthoate-CoA
- DHNA-CoA
Databases
MetaCyc:
CPD-9925
PubChem (CID):
46878473
ChEBI:
58897
KEGG:
C15547
Seed:
cpd11217
MetaNetX:
MNXM2306