HMDB0039423 RDKit 3D N5-Acetyl-N2-gamma-L-glutamyl-L-ornithine 42 41 0 0 0 0 0 0 0 0999 V2000 5.9002 0.2096 1.7056 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5749 -0.4206 1.6185 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7524 -0.2408 2.5521 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1888 -1.2186 0.5302 N 0 0 0 0 0 0 0 0 0 0 0 0 2.9005 -1.8546 0.4049 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7576 -0.8526 0.4025 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9873 0.0619 -0.7807 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9066 1.1159 -0.8960 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3962 0.5521 -1.0633 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.4295 0.7712 -0.1132 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1906 1.4833 0.9066 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7676 0.1952 -0.2798 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6730 0.5795 0.8645 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0520 -0.0202 0.6830 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5897 0.4851 -0.5524 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.8788 -1.4900 0.5800 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1827 -2.0931 -0.4598 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3685 -2.1732 1.6749 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2508 1.9644 -2.0612 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4143 2.0769 -2.9892 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4435 2.6278 -2.1623 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8535 1.3214 1.6191 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6104 -0.1430 0.9482 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3467 -0.0079 2.6981 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8856 -1.3648 -0.2502 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8561 -2.5157 -0.4660 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7589 -2.4813 1.3146 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7665 -0.2234 1.3124 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8268 -1.4247 0.3231 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1064 -0.5113 -1.7230 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9403 0.6034 -0.6175 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9596 1.7139 0.0456 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6054 -0.0357 -1.8982 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6676 -0.9273 -0.2367 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2248 0.4737 -1.2435 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7622 1.6621 0.9636 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2004 0.2053 1.8085 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6966 0.1742 1.5509 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6128 0.3275 -0.5411 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2090 -0.1150 -1.3322 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9139 -2.1249 2.5271 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4337 3.6342 -2.1486 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 2 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 2 0 10 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 14 16 1 0 16 17 2 0 16 18 1 0 8 19 1 0 19 20 2 0 19 21 1 0 1 22 1 0 1 23 1 0 1 24 1 0 4 25 1 0 5 26 1 0 5 27 1 0 6 28 1 0 6 29 1 0 7 30 1 0 7 31 1 0 8 32 1 0 9 33 1 0 12 34 1 0 12 35 1 0 13 36 1 0 13 37 1 0 14 38 1 0 15 39 1 0 15 40 1 0 18 41 1 0 21 42 1 0 M END