Marvin 05271011282D 22 21 0 0 1 0 999 V2000 9.5118 -6.5451 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.2262 -6.9575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2262 -7.7825 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5118 -5.7201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2262 -4.4826 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2263 -5.3076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9407 -6.5450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7974 -6.9576 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.5118 -4.0701 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7984 -3.2451 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.5129 -2.8326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0841 -2.8326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7984 -4.0701 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.5129 -2.0076 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.2274 -3.2451 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3695 -3.2451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6551 -2.8326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9407 -3.2451 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.2262 -2.8326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9407 -4.0701 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.2262 -2.0076 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5117 -3.2451 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 8 1 6 0 0 0 1 2 1 0 0 0 0 2 7 1 0 0 0 0 3 2 2 0 0 0 0 4 1 1 0 0 0 0 9 5 2 0 0 0 0 20 5 1 0 0 0 0 4 6 1 0 0 0 0 6 5 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 13 1 1 0 0 0 11 14 2 0 0 0 0 11 15 1 0 0 0 0 12 16 1 0 0 0 0 16 17 1 0 0 0 0 18 17 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 1 0 0 0 19 21 2 0 0 0 0 19 22 1 0 0 0 0 M END > CHEBI:59271 > gamma-D-glutamyl-meso-diaminopimelic acid > The γ-D-glutamyl derivative of meso-diaminopimelic acid. Minimal ligand of NOD1. > 3 > iE-DAP; gamma-D-Glu-mDAP > (2S,6R)-2-amino-6-(D-gamma-glutamylamino)heptanedioic acid > C12H21N3O7 > 319.31100 > 319.13795 > 0 > N[C@@H](CCC[C@@H](NC(=O)CC[C@@H](N)C(O)=O)C(O)=O)C(O)=O > InChI=1S/C12H21N3O7/c13-6(10(17)18)2-1-3-8(12(21)22)15-9(16)5-4-7(14)11(19)20/h6-8H,1-5,13-14H2,(H,15,16)(H,17,18)(H,19,20)(H,21,22)/t6-,7+,8+/m0/s1 > QIFGMZZTJRULMA-XLPZGREQSA-N $$$$