CDK 1023151741 30 30 0 0 0 0 0 0 0 0999 V2000 26.8121 -19.8423 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 26.9226 -17.7797 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 25.7957 -14.3987 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.0962 -17.3672 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.5581 -15.1133 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.8107 -18.6047 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 27.5266 -23.5548 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 28.2411 -22.3173 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 25.3831 -19.0172 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 26.6207 -15.8277 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 26.0976 -22.7298 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 22.5252 -16.5422 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 26.0976 -20.2548 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 25.3831 -19.8423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.6687 -17.7797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.3831 -17.3672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.0976 -21.0798 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.9541 -17.3672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.6687 -18.6047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.3831 -16.5422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.8121 -21.4923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.2397 -17.7797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.0976 -17.7797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.0976 -18.6047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.7957 -15.8277 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 26.8121 -22.3173 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.5252 -17.3672 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 25.3831 -15.1133 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.8107 -17.7797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.5266 -22.7298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13 1 1 6 0 0 0 2 23 1 0 0 0 0 3 28 1 0 0 0 0 4 29 1 0 0 0 0 5 28 2 0 0 0 0 6 29 2 0 0 0 0 7 30 1 0 0 0 0 8 30 2 0 0 0 0 9 14 1 0 0 0 0 9 19 1 0 0 0 0 9 24 2 0 0 0 0 25 10 1 1 0 0 0 26 11 1 1 0 0 0 27 12 1 1 0 0 0 13 14 1 0 0 0 0 13 17 1 0 0 0 0 15 16 1 0 0 0 0 15 18 1 0 0 0 0 15 19 2 0 0 0 0 16 20 1 0 0 0 0 16 23 2 0 0 0 0 17 21 1 0 0 0 0 18 22 1 0 0 0 0 20 25 1 0 0 0 0 21 26 1 0 0 0 0 22 27 1 0 0 0 0 23 24 1 0 0 0 0 25 28 1 0 0 0 0 26 30 1 0 0 0 0 27 29 1 0 0 0 0 M CHG 1 7 -1 M CHG 1 9 1 M END > CHEBI:88539 > Pyridinoline > 2 > Hydroxylysylpyridinoline; 4-[(2S)-2-amino-2-carboxyethyl]-3-[(3S)-3-amino-3-carboxypropyl]-1-[(2R,5S)-5-amino-5-carboxylato-2-hydroxypentyl]-5-hydroxypyridin-1-ium; 4-((2S)-2-Amino-2-carboxyethyl)-1-((2R,5S)-5-amino-5-carboxy-2-hydroxypentyl)-3-((3S)-3-amino-3-carboxypropyl)-5-hydroxy-Pyridinium inner salt; 1-(2S)-(+)-Pyridinoline; (+)-pyridinoline > C18H28N4O8 > 428.438 > 428.19071 > 0 > O[C@@H](C[N+]=1C=C(C(C[C@H](N)C(O)=O)=C(O)C1)CC[C@H](N)C(O)=O)CC[C@H](N)C([O-])=O > InChI=1S/C18H28N4O8/c19-12(16(25)26)3-1-9-6-22(7-10(23)2-4-13(20)17(27)28)8-15(24)11(9)5-14(21)18(29)30/h6,8,10,12-14,23H,1-5,7,19-21H2,(H3-,24,25,26,27,28,29,30)/t10-,12+,13+,14+/m1/s1 > LCYXYLLJXMAEMT-SAXRGWBVSA-N > 63800-01-1 > 10066644; 10220833; 10441478; 10505220; 11678886; 11869072; 12372096; 12600412; 12814623; 15338487; 15955452; 15978265; 641035; 6879435; 7510346; 8185700; 8268758; 9316552; 9766899 $$$$