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Escherichia coli K-12 substr. MG1655 Compound: 1,6-anhydrous-N-Acetylmuramyl-tripeptide

Chemical Formula: C26H41N5O14

Molecular Weight: 647.64 Daltons

Monoisotopic Molecular Weight: 650.2884761478 Daltons

1,6-anhydrous-N-Acetylmuramyl-tripeptide compound structure

SMILES: CC(C(NC(CCC([O-])=O)C(=O)NC(CCCC(C(=O)[O-])[N+])C([O-])=O)=O)NC(C(OC1(C(C(OCC1NC(=O)C)CO)O))C)=O

InChI: InChI=1S/C26H43N5O14/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/h11-12,14-18,20-21,32,36H,4-10,27H2,1-3H3,(H,28,38)(H,29,33)(H,30,37)(H,31,39)(H,34,35)(H,40,41)(H,42,43)/p-2/t11-,12+,14?,15+,16-,17-,18+,20+,21+/m0/s1

InChIKey: InChIKey=KGVLFEPQSVUIRC-FYQNUYSYSA-L

Unification Links: IAF1260:2328671, PubChem:90657321

Standard Gibbs Free Energy of Formation (ΔfG in kcal/mol): -480.44

Credits:
Created 16-Dec-2009 by Kothari A, SRI International


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Please cite the following article in publications resulting from the use of EcoCyc: Nucleic Acids Research 41:D605-12 2013
Page generated by Pathway Tools version 19.5 (software by SRI International) on Wed Feb 10, 2016, biocyc11.