HMDB0028815 RDKit 3D Glutamylaspartic acid 32 31 0 0 0 0 0 0 0 0999 V2000 1.5147 -1.0351 -0.8260 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2350 -0.7425 0.5499 C 0 0 1 0 0 0 0 0 0 0 0 0 1.9583 0.4712 1.0507 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4380 0.2295 0.9090 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2524 1.3629 1.3730 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7166 2.3954 1.8287 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6295 1.2966 1.3090 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2380 -0.6519 0.7173 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7104 -0.3987 1.8649 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1149 -0.8393 -0.3608 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.5509 -0.7457 -0.1797 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.1511 0.2919 -1.0918 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5876 1.6343 -0.8416 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7159 1.8677 0.0269 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0521 2.6896 -1.6125 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1932 -2.0520 -0.4219 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4982 -3.0315 -0.7336 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5538 -2.1694 -0.2996 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3683 -1.6155 -0.9528 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4329 -0.2342 -1.4605 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5872 -1.6093 1.1692 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6819 0.6184 2.1150 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6185 1.3435 0.4558 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6279 0.0007 -0.1682 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6593 -0.7045 1.5018 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0700 1.5604 0.4245 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7406 -1.0524 -1.3252 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7559 -0.4604 0.8903 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0669 0.0114 -2.1582 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2464 0.3529 -0.8508 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3951 3.4196 -1.8546 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2194 -2.2034 -1.0482 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 2 0 5 7 1 0 2 8 1 0 8 9 2 0 8 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 2 0 13 15 1 0 11 16 1 0 16 17 2 0 16 18 1 0 1 19 1 0 1 20 1 0 2 21 1 1 3 22 1 0 3 23 1 0 4 24 1 0 4 25 1 0 7 26 1 0 10 27 1 0 11 28 1 1 12 29 1 0 12 30 1 0 15 31 1 0 18 32 1 0 M END