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Automated Model Construction and Genome Annotation for Large-Scale Metabolic Networks
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aurodrosopterin
Properties
Image
Occurences in reactions
MNX_ID
MNXM1100635
#reac
in my sandbox
0
in MNXref (generic)
1
in models (compartimentalized)
0
formula
C
15
H
15
N
9
O
3
charge
0
mass
369.12979
reference
metacycM:CPD-16457
InChIKey
TWJXLQJAXSHJQU-UHFFFAOYSA-N
InChI
InChI=1S/C15H15N9O3/c1-4-7-5(2-17-10-8(19-7)12(25)22-14(16)20-10)6-3-18-11-9(24(4)6)13(26)23-15(27)21-11/h5-6H,2-3H2,1H3,(H3,16,17,20,22,25)(H3,18,21,23,26,27)
SMILES
CC1=C2N=c3c(=O)nc(N)[nH]c3=NCC2C2CNc3[nH]c(O)nc(=O)c3N12
Parent-child relations graph
Deprecated MNXref IDs graph
Similar chemical compounds in external resources
Identifier
Description
metacyc.compound:CPD-16457
metacycM:CPD-16457
seed.compound:cpd33386
seedM:cpd33386
aurodrosopterin
seedM:M_cpd33386
secondary/obsolete/fantasy identifier