Ketcher 03072310202D 1 1.00000 0.00000 0 13 12 0 1 0 999 V2000 1.7320 -0.2308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5981 0.2692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8661 0.2692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7320 -1.2308 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5981 1.2692 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4641 -0.2308 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.2308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8661 0.2692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7320 -0.2308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5981 0.2692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7320 -1.2308 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.5981 1.2692 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4641 -0.2308 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 1 3 1 0 0 0 1 4 1 1 0 0 2 5 2 0 0 0 2 6 1 0 0 0 3 7 1 0 0 0 7 8 1 0 0 0 9 8 1 0 0 0 9 10 1 0 0 0 9 11 1 1 0 0 10 12 2 0 0 0 10 13 1 0 0 0 M END > CHEBI:16488 > meso-2,6-diaminopimelic acid > The meso-isomer of 2,6-diaminopimelic acid. It is a key constituent of bacterial peptidoglycan and is often found in human urine due to the breakdown of the gut microbes. > 3 > CHEBI:40838; CHEBI:10598; CHEBI:25204 > meso-diaminoheptanedioic acid; meso-2,6-Diaminopimelic acid > (2R*,6S*)-2,6-diaminoheptanedioic acid > C7H14N2O4; C7H14N2O4 > 190.199 > 190.09536 > 0 > N[C@@H](CCC[C@@H](N)C(O)=O)C(O)=O > InChI=1S/C7H14N2O4/c8-4(6(10)11)2-1-3-5(9)7(12)13/h4-5H,1-3,8-9H2,(H,10,11)(H,12,13)/t4-,5+ > GMKMEZVLHJARHF-SYDPRGILSA-N > 8218693 > 922-54-3 > 8218693 > 922-54-3 > C00680 > C00007595 > API > Diaminopimelic_acid > 11262151; 20803494; 22339732; 23325104 $$$$