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:

PYTINLGPKDJURZ-HSJNEKGZSA-J

Synonyms

1,4-dihydroxy-2-naphthoate-CoA
DHNA-CoA

Databases

MetaCyc: CPD-9925

PubChem (CID): 46878473

ChEBI: 58897

KEGG: C15547

Seed: cpd11217

MetaNetX: MNXM2306