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Automated Model Construction and Genome Annotation for Large-Scale Metabolic Networks
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5-oxo-2-furoyl-CoA
Properties
Image
Occurences in reactions
MNX_ID
MNXM4393
#reac
in my sandbox
0
in MNXref (generic)
3
in models (compartimentalized)
0
formula
C
26
H
34
N
7
O
19
P
3
S
charge
-4
mass
873.0865
reference
metacycM:CPD-14109
InChIKey
INLPMDVWMSUUGE-CITAKDKDSA-J
InChI
InChI=1S/C26H38N7O19P3S/c1-26(2,20(37)23(38)29-6-5-15(34)28-7-8-56-25(39)13-3-4-16(35)49-13)10-48-55(45,46)52-54(43,44)47-9-14-19(51-53(40,41)42)18(36)24(50-14)33-12-32-17-21(27)30-11-31-22(17)33/h3,11-12,14,18-20,24,36-37H,4-10H2,1-2H3,(H,28,34)(H,29,38)(H,43,44)(H,45,46)(H2,27,30,31)(H2,40,41,42)/p-4/t14-,18-,19-,20+,24-/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)C1=CCC(=O)O1
Parent-child relations graph
Deprecated MNXref IDs graph
Similar chemical compounds in external resources
Identifier
Description
metacyc.compound:CPD-14109
metacycM:CPD-14109
seed.compound:cpd24183
seedM:cpd24183
5-oxo-2-furoyl-CoA
seedM:M_cpd24183
secondary/obsolete/fantasy identifier