HMDB0028830 RDKit 3D Glutamyltryptophan 43 44 0 0 0 0 0 0 0 0999 V2000 3.4129 -2.0091 1.4409 N 0 0 0 0 0 0 0 0 0 0 0 0 3.3740 -0.5534 1.3187 C 0 0 1 0 0 0 0 0 0 0 0 0 4.1698 -0.1609 0.1045 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2221 1.3092 -0.1403 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0518 1.6263 -1.3560 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5901 0.6913 -1.9916 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2422 2.9194 -1.7990 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9461 -0.1954 1.1937 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6290 1.0161 1.1583 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9137 -1.1643 1.1120 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.4825 -0.8108 0.9894 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.0206 -1.2614 -0.3462 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4303 -0.9468 -0.5545 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4667 -1.8493 -0.4720 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5987 -1.1991 -0.7209 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.3874 0.1035 -0.9697 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2091 1.1595 -1.2720 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6843 2.4200 -1.4809 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3216 2.5878 -1.3784 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5161 1.5287 -1.0771 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0007 0.2656 -0.8634 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2181 -1.3370 2.1279 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6264 -1.9770 3.0215 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5772 -1.1436 2.2475 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1341 -2.4820 0.5713 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8858 -2.3406 2.2763 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8324 -0.1398 2.2388 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1926 -0.5919 0.1531 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6932 -0.6601 -0.7867 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2060 1.7358 -0.3206 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6180 1.8382 0.7453 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0954 3.4428 -1.6820 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1933 -2.1696 1.1432 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5132 0.3168 0.9576 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3580 -0.8336 -1.1550 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8451 -2.3588 -0.4022 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4014 -2.9160 -0.2437 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5673 -1.6163 -0.7325 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2770 1.0204 -1.3513 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3093 3.2490 -1.7155 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8968 3.5732 -1.5409 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4470 1.6633 -0.9971 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2475 -1.7501 2.6536 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 14 15 1 0 15 16 1 0 16 17 2 0 17 18 1 0 18 19 2 0 19 20 1 0 20 21 2 0 11 22 1 0 22 23 2 0 22 24 1 0 21 13 1 0 21 16 1 0 1 25 1 0 1 26 1 0 2 27 1 1 3 28 1 0 3 29 1 0 4 30 1 0 4 31 1 0 7 32 1 0 10 33 1 0 11 34 1 6 12 35 1 0 12 36 1 0 14 37 1 0 15 38 1 0 17 39 1 0 18 40 1 0 19 41 1 0 20 42 1 0 24 43 1 0 M END