10,16-dihydroxypalmitoyl-CoA
Chemical Formula:
C37H62N7O19P3S
Molecular Weight:
1033.914 Daltons
Monoisotopic Mass:
1037.3347031949 Daltons
SMILES:
CC(C)(C(O)C(=O)NCCC(=O)NCCSC(CCCCCCCCC(CCCCCCO)O)=O)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-]
InChI:
1S/C37H66N7O19P3S/c1-37(2,32(50)35(51)40-17-16-27(47)39-18-20-67-28(48)15-11-6-4-3-5-9-13-25(46)14-10-7-8-12-19-45)22-60-66(57,58)63-65(55,56)59-21-26-31(62-64(52,53)54)30(49)36(61-26)44-24-43-29-33(38)41-23-42-34(29)44/h23-26,30-32,36,45-46,49-50H,3-22H2,1-2H3,(H,39,47)(H,40,51)(H,55,56)(H,57,58)(H2,38,41,42)(H2,52,53,54)/p-4/t25?,26-,30-,31-,32+,36-/m1/s1
InChIKey:
Databases
MetaCyc:
CPD-17627
PubChem (CID):
91820544
MetaNetX:
MNXM148598