3-(indol-3-yl)acryloyl-CoA
Chemical Formula:
C32H39N8O17P3S
Molecular Weight:
932.685 Daltons
Monoisotopic Mass:
936.1679722176 Daltons
SMILES:
CC(C)(C(O)C(=O)NCCC(=O)NCCSC(C=CC1(=CNC2(C=CC=CC1=2)))=O)COP(=O)(OP(=O)(OCC3(C(OP([O-])(=O)[O-])C(O)C(O3)N5(C4(=C(C(N)=NC=N4)N=C5))))[O-])[O-]
InChI:
1S/C32H43N8O17P3S/c1-32(2,27(44)30(45)35-10-9-22(41)34-11-12-61-23(42)8-7-18-13-36-20-6-4-3-5-19(18)20)15-54-60(51,52)57-59(49,50)53-14-21-26(56-58(46,47)48)25(43)31(55-21)40-17-39-24-28(33)37-16-38-29(24)40/h3-8,13,16-17,21,25-27,31,36,43-44H,9-12,14-15H2,1-2H3,(H,34,41)(H,35,45)(H,49,50)(H,51,52)(H2,33,37,38)(H2,46,47,48)/p-4/b8-7+/t21-,25-,26-,27+,31-/m1/s1
InChIKey:
Databases
MetaCyc:
CPD-21497
ChEBI:
143009
PubChem (CID):
134819956