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Furylpropionyl-CoA
Properties
Image
Occurences in reactions
MNX_ID
MNXM167757
#reac
in my sandbox
0
in MNXref (generic)
1
in models (compartimentalized)
0
formula
C
28
H
42
N
7
O
18
P
3
S
charge
0
mass
889.15199
reference
sabiorkM:18816
InChIKey
ZZJUUVMUQVPHBB-SVHODSNWSA-N
InChI
InChI=1S/C28H42N7O18P3S/c1-28(2,23(39)26(40)31-8-7-18(36)30-9-11-57-19(37)6-5-16-4-3-10-48-16)13-50-56(46,47)53-55(44,45)49-12-17-22(52-54(41,42)43)21(38)27(51-17)35-15-34-20-24(29)32-14-33-25(20)35/h3-4,10,14-15,17,21-23,27,38-39H,5-9,11-13H2,1-2H3,(H,30,36)(H,31,40)(H,44,45)(H,46,47)(H2,29,32,33)(H2,41,42,43)/t17-,21-,22-,23+,27-/m1/s1
SMILES
CC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)[C@@H](O)C(O)=NCCC(O)=NCCSC(=O)CCc1ccco1
Parent-child relations graph
Deprecated MNXref IDs graph
Similar chemical compounds in external resources
Identifier
Description
sabiork.compound:18816
sabiorkM:18816
Furylpropionyl-CoA
beta-(2-Furyl)propionyl-coenzyme A