HMDB0000267 RDKit 3D Pyroglutamic acid 16 16 0 0 0 0 0 0 0 0999 V2000 -2.3404 1.3611 -1.4017 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4603 0.7498 -0.7487 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3324 -0.7260 -0.5725 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5188 -0.8226 0.6883 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4129 0.3582 0.5930 C 0 0 1 0 0 0 0 0 0 0 0 0 1.6205 0.0916 -0.1868 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8589 0.6985 -1.2606 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5496 -0.8456 0.2342 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4011 1.3706 -0.0424 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.8057 -1.2004 -1.4259 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3162 -1.2187 -0.4258 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0049 -1.7775 0.8123 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1999 -0.6417 1.5433 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6880 0.7449 1.6084 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4670 -0.5291 0.5611 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2171 2.3866 0.0237 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 1 0 6 7 2 0 6 8 1 0 5 9 1 0 9 2 1 0 3 10 1 0 3 11 1 0 4 12 1 0 4 13 1 0 5 14 1 1 8 15 1 0 9 16 1 0 M END