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Automated Model Construction and Genome Annotation for Large-Scale Metabolic Networks
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1,6-anhydrous-N-Acetylmuramyl-tripeptide
Properties
Image
Occurences in reactions
MNX_ID
MNXM734072
#reac
in my sandbox
0
in MNXref (generic)
3
in models (compartimentalized)
4
formula
C
26
H
39
N
5
O
14
charge
-2
mass
645.25045
reference
biggM:anhm3p
InChIKey
DYTVGKIJPLPZAI-UHFFFAOYSA-L
InChI
InChI=1S/C26H41N5O14/c1-11(28-23(38)12(2)45-21-17(29-13(3)33)10-44-18(9-32)20(21)36)22(37)30-15(7-8-19(34)35)24(39)31-16(26(42)43)6-4-5-14(27)25(40)41/h10-12,14-16,18,20-21,32,36H,4-9,27H2,1-3H3,(H,28,38)(H,29,33)(H,30,37)(H,31,39)(H,34,35)(H,40,41)(H,42,43)/p-2
SMILES
CC(=O)NC1=COC(CO)C(O)C1OC(C)C(=O)NC(C)C(=O)NC(CCC(=O)[O-])C(=O)NC(CCCC([NH3+])C(=O)[O-])C(=O)[O-]
Parent-child relations graph
Deprecated MNXref IDs graph
Similar chemical compounds in external resources
Identifier
Description
bigg.metabolite:anhm3p
biggM:anhm3p
1,6-anhydrous-N-Acetylmuramyl-tripeptide
biggM:M_anhm3p
secondary/obsolete/fantasy identifier