HMDB0059617 RDKit 3D 2-(3-carboxy-3-(trimethylammonio)propyl)-L-histidine 44 44 0 0 0 0 0 0 0 0999 V2000 -5.0496 0.3866 0.3810 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7792 0.5054 -0.2959 N 0 0 0 0 0 4 0 0 0 0 0 0 -3.8994 -0.0078 -1.6182 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4249 1.9321 -0.3487 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7780 -0.1551 0.5299 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4559 -0.2274 -0.1381 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4496 -0.9094 0.7481 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8959 -0.9502 0.1083 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3415 -1.9255 -0.6759 N 0 0 0 0 0 0 0 0 0 0 0 0 2.6050 -1.6373 -1.0823 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8988 -0.4304 -0.4985 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1720 0.3214 -0.6334 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1722 -0.0616 0.4405 C 0 0 2 0 0 0 0 0 0 0 0 0 4.6962 0.1903 1.7653 N 0 0 0 0 0 0 0 0 0 0 0 0 6.4158 0.6936 0.1860 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0039 0.6144 -0.9242 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9349 1.4905 1.1724 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8433 -0.0238 0.2263 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.2448 -1.4598 0.9886 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2769 -1.9785 0.4316 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6961 -2.2389 1.9913 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.5123 1.4128 0.4110 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7516 -0.2906 -0.1602 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9157 0.0262 1.4260 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9713 0.0242 -2.2192 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4218 -0.9745 -1.6455 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5953 0.7006 -2.1617 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8478 2.1479 -1.2684 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3569 2.5560 -0.3078 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8123 2.1823 0.5410 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6524 0.4919 1.4420 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5043 -0.8144 -1.1023 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0185 0.7802 -0.3617 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7969 -1.9565 0.9174 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4536 -0.3904 1.7252 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2498 -2.2186 -1.7233 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9849 1.4007 -0.6123 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6311 0.0450 -1.6105 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3347 -1.1606 0.3461 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3320 1.1333 1.9355 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1997 -0.5846 2.2164 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9592 2.5076 1.1531 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7890 0.8818 0.7901 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7948 -2.0288 2.9867 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 2 4 1 0 2 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 2 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 1 0 13 14 1 0 13 15 1 0 15 16 2 0 15 17 1 0 11 18 1 0 5 19 1 0 19 20 2 0 19 21 1 0 18 8 1 0 1 22 1 0 1 23 1 0 1 24 1 0 3 25 1 0 3 26 1 0 3 27 1 0 4 28 1 0 4 29 1 0 4 30 1 0 5 31 1 0 6 32 1 0 6 33 1 0 7 34 1 0 7 35 1 0 10 36 1 0 12 37 1 0 12 38 1 0 13 39 1 1 14 40 1 0 14 41 1 0 17 42 1 0 18 43 1 0 21 44 1 0 M CHG 1 2 1 M END