heptanoyl-CoA
Chemical Formula:
C28H44N7O17P3S
Molecular Weight:
875.674 Daltons
Monoisotopic Mass:
879.2040233729 Daltons
SMILES:
CCCCCCC(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/C28H48N7O17P3S/c1-4-5-6-7-8-19(37)56-12-11-30-18(36)9-10-31-26(40)23(39)28(2,3)14-49-55(46,47)52-54(44,45)48-13-17-22(51-53(41,42)43)21(38)27(50-17)35-16-34-20-24(29)32-15-33-25(20)35/h15-17,21-23,27,38-39H,4-14H2,1-3H3,(H,30,36)(H,31,40)(H,44,45)(H,46,47)(H2,29,32,33)(H2,41,42,43)/p-4/t17-,21-,22-,23+,27-/m1/s1
InChIKey:
Databases
MetaCyc:
CPD-14432
RefMet:
Heptanoyl-CoA
ChEBI:
78811
HMDB:
HMDB12969
MetaNetX:
MNXM56148