HMDB0006807 RDKit 3D 3-Hydroxypropionyl-CoA 93 95 0 0 0 0 0 0 0 0999 V2000 2.2199 0.2661 2.7534 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7844 -0.7655 1.7393 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8779 -2.1354 2.3196 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3433 -0.4750 1.2780 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2933 0.7745 0.7055 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2376 1.1922 0.1652 P 0 0 0 0 0 5 0 0 0 0 0 0 -1.3230 0.8194 -1.3107 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3556 2.8971 0.2181 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4745 0.4995 1.0565 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1763 -0.8322 0.3321 P 0 0 0 0 0 5 0 0 0 0 0 0 -3.2195 -1.9453 1.3691 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2465 -1.3821 -0.9770 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7502 -0.4589 -0.1566 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9867 -0.8889 -1.4669 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4012 -0.5509 -1.8994 C 0 0 1 0 0 0 0 0 0 0 0 0 -7.3411 -1.1601 -1.0793 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.3986 -0.2615 -0.9580 C 0 0 1 0 0 0 0 0 0 0 0 0 -9.2945 -0.6181 0.0903 N 0 0 0 0 0 0 0 0 0 0 0 0 -8.9571 -0.9742 1.3407 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.0814 -1.2451 2.0630 N 0 0 0 0 0 0 0 0 0 0 0 0 -11.1461 -1.0632 1.2757 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.5097 -1.2033 1.5194 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.9829 -1.6070 2.7956 N 0 0 0 0 0 0 0 0 0 0 0 0 -13.3331 -0.9372 0.4899 N 0 0 0 0 0 0 0 0 0 0 0 0 -12.8676 -0.5543 -0.7174 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.5459 -0.4266 -0.9263 N 0 0 0 0 0 0 0 0 0 0 0 0 -10.6485 -0.6735 0.0511 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6228 1.0250 -0.6682 C 0 0 2 0 0 0 0 0 0 0 0 0 -8.4290 2.1420 -0.7864 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.5749 0.9379 -1.7569 C 0 0 2 0 0 0 0 0 0 0 0 0 -7.1347 1.4403 -2.9306 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.2115 2.6999 -3.5731 P 0 0 0 0 0 5 0 0 0 0 0 0 -5.6322 2.2271 -4.8868 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.1099 4.0804 -3.8579 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8856 3.0172 -2.5473 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6356 -0.6263 0.4740 C 0 0 1 0 0 0 0 0 0 0 0 0 2.4119 0.6910 -0.0200 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0832 -0.7069 0.7441 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8048 0.3312 0.6852 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7042 -1.9159 1.0686 N 0 0 0 0 0 0 0 0 0 0 0 0 6.1113 -2.0326 1.3368 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9182 -1.6320 0.1322 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3664 -1.7905 0.4561 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7102 -2.1929 1.5942 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3501 -1.4896 -0.5163 N 0 0 0 0 0 0 0 0 0 0 0 0 10.7615 -1.6190 -0.2788 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1699 -0.7245 0.8422 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8147 1.0112 0.4403 S 0 0 0 0 0 0 0 0 0 0 0 0 11.8460 1.5652 -0.9149 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6250 0.7818 -1.4032 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7637 2.9455 -1.4410 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7596 3.1065 -2.5667 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0487 2.8652 -2.0965 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3402 0.8288 3.1498 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9231 1.0102 2.3152 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7601 -0.1986 3.6148 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8206 -2.9531 1.5805 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7658 -2.2634 2.9661 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0017 -2.2702 3.0154 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0226 -1.2345 0.5666 H 0 0 0 0 0 0 0 0 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0 40 41 1 0 41 42 1 0 42 43 1 0 43 44 2 0 43 45 1 0 45 46 1 0 46 47 1 0 47 48 1 0 48 49 1 0 49 50 2 0 49 51 1 0 51 52 1 0 52 53 1 0 30 15 1 0 27 18 1 0 27 21 1 0 1 54 1 0 1 55 1 0 1 56 1 0 3 57 1 0 3 58 1 0 3 59 1 0 4 60 1 0 4 61 1 0 8 62 1 0 12 63 1 0 14 64 1 0 14 65 1 0 15 66 1 6 17 67 1 6 19 68 1 0 23 69 1 0 23 70 1 0 25 71 1 0 28 72 1 1 29 73 1 0 30 74 1 1 34 75 1 0 35 76 1 0 36 77 1 6 37 78 1 0 40 79 1 0 41 80 1 0 41 81 1 0 42 82 1 0 42 83 1 0 45 84 1 0 46 85 1 0 46 86 1 0 47 87 1 0 47 88 1 0 51 89 1 0 51 90 1 0 52 91 1 0 52 92 1 0 53 93 1 0 M END