3,6-lactone of 3-hydroxyadinyl-CoA
Chemical Formula:
C27H38N7O19P3S
Molecular Weight:
889.614 Daltons
Monoisotopic Mass:
893.1469024244999 Daltons
SMILES:
CC(C)(C(O)C(=O)NCCC(=O)NCCSC(=O)CC1(CCC(=O)O1))COP(=O)(OP(=O)(OCC2(C(OP([O-])(=O)[O-])C(O)C(O2)N4(C3(=C(C(N)=NC=N3)N=C4))))[O-])[O-]
InChI:
1S/C27H42N7O19P3S/c1-27(2,22(39)25(40)30-6-5-16(35)29-7-8-57-18(37)9-14-3-4-17(36)50-14)11-49-56(46,47)53-55(44,45)48-10-15-21(52-54(41,42)43)20(38)26(51-15)34-13-33-19-23(28)31-12-32-24(19)34/h12-15,20-22,26,38-39H,3-11H2,1-2H3,(H,29,35)(H,30,40)(H,44,45)(H,46,47)(H2,28,31,32)(H2,41,42,43)/p-4/t14?,15-,20-,21-,22+,26-/m1/s1
InChIKey:
Databases
MetaCyc:
36-LACTONE-OF-3-HYDROXYADINYL-COA
PubChem (CID):
46173556
Seed:
cpd22090
ChEBI:
49304
MetaNetX:
MNXM14927