3R-hydroxy-lesqueroloyl-CoA
Chemical Formula:
C41H68N7O19P3S
Molecular Weight:
1088.005 Daltons
Monoisotopic Mass:
1091.3816533875001 Daltons
SMILES:
CCCCCCC(O)CC=CCCCCCCCC(O)CC(SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(OP(=O)(OCC1(C(OP([O-])(=O)[O-])C(O)C(O1)N3(C2(=C(C(N)=NC=N2)N=C3))))[O-])[O-])=O
InChI:
1S/C41H72N7O19P3S/c1-4-5-6-13-16-28(49)17-14-11-9-7-8-10-12-15-18-29(50)23-32(52)71-22-21-43-31(51)19-20-44-39(55)36(54)41(2,3)25-64-70(61,62)67-69(59,60)63-24-30-35(66-68(56,57)58)34(53)40(65-30)48-27-47-33-37(42)45-26-46-38(33)48/h11,14,26-30,34-36,40,49-50,53-54H,4-10,12-13,15-25H2,1-3H3,(H,43,51)(H,44,55)(H,59,60)(H,61,62)(H2,42,45,46)(H2,56,57,58)/p-4/b14-11-/t28-,29-,30-,34-,35-,36+,40-/m1/s1
InChIKey:
Databases
MetaCyc:
CPD-15369
PubChem (CID):
91819813
MetaNetX:
MNXM147805