3-hydroxy-heptanoyl-CoA
Chemical Formula:
C28H44N7O18P3S
Molecular Weight:
891.673 Daltons
Monoisotopic Mass:
895.1989379949999 Daltons
SMILES:
CCCCC(O)CC(=O)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-]
InChI:
1S/C28H48N7O18P3S/c1-4-5-6-16(36)11-19(38)57-10-9-30-18(37)7-8-31-26(41)23(40)28(2,3)13-50-56(47,48)53-55(45,46)49-12-17-22(52-54(42,43)44)21(39)27(51-17)35-15-34-20-24(29)32-14-33-25(20)35/h14-17,21-23,27,36,39-40H,4-13H2,1-3H3,(H,30,37)(H,31,41)(H,45,46)(H,47,48)(H2,29,32,33)(H2,42,43,44)/p-4/t16?,17-,21-,22-,23+,27-/m1/s1
InChIKey:
Databases
MetaCyc:
CPD-15659
PubChem (CID):
90657267
MetaNetX:
MNXM147785