5,6-dihydro-2-naphthoyl-CoA

Chemical Formula:

C₃₂H₄₀N₇O₁₇P₃S

Molecular Weight:

919.686 Daltons

Monoisotopic Mass:

923.1727232445 Daltons

SMILES:

CC(C)(C(O)C(=O)NCCC(=O)NCCSC(C2(C=CC1(CCC=CC=1C=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/C32H44N7O17P3S/c1-32(2,26(42)29(43)35-10-9-22(40)34-11-12-60-31(44)20-8-7-18-5-3-4-6-19(18)13-20)15-53-59(50,51)56-58(48,49)52-14-21-25(55-57(45,46)47)24(41)30(54-21)39-17-38-23-27(33)36-16-37-28(23)39/h4,6-8,13,16-17,21,24-26,30,41-42H,3,5,9-12,14-15H2,1-2H3,(H,34,40)(H,35,43)(H,48,49)(H,50,51)(H2,33,36,37)(H2,45,46,47)/p-4/t21-,24-,25-,26+,30-/m1/s1

InChIKey:

YEPLVPWPAGSNOP-YGFBVEKBSA-J

Synonyms

5,6-dihydro-2-naphthoyl-coenzyme A

Databases

MetaCyc: CPD-17487

PubChem (CID): 91820369

MetaNetX: MNXM147843