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Showing structure for FDB023901 (Dolichol phosphate)
5280322 -OEChem-09032121163D 49 48 0 1 0 0 0 0 0999 V2000 3.4708 0.7723 -0.4467 P 0 0 0 0 0 0 0 0 0 0 0 0 2.3337 -0.3317 -0.7637 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7921 0.5140 1.1170 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7842 0.1988 -1.1959 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1002 2.1848 -0.7927 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3299 -1.9572 0.7336 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.0086 -2.7196 0.7901 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2926 -2.4496 -0.3633 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7688 -2.7230 -0.5394 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9986 -1.9876 2.1124 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6131 -1.6939 -0.4621 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0704 -1.3194 -0.9826 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1624 -0.5818 -0.7014 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2811 0.8311 -1.2415 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3280 1.9070 -0.1476 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3201 -1.0503 0.1367 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1389 1.8434 0.7721 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9960 2.5524 0.7031 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1572 2.4389 1.6591 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7979 3.5716 -0.3873 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1043 -0.9017 0.5332 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8200 -3.7604 1.0824 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6443 -2.2868 1.5737 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8007 -2.3606 -1.3380 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5057 -3.5144 -0.2088 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6898 -3.3046 -0.4258 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2046 -3.2404 -1.3225 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8398 -1.2912 2.1696 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3642 -2.9916 2.3523 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2901 -1.6913 2.8938 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2101 -2.1072 -1.2819 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1984 -1.7906 0.4558 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2939 -0.8676 -1.5985 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1941 0.8989 -1.8467 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4524 1.0565 -1.9256 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2351 1.7918 0.4588 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4301 2.8937 -0.6111 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3886 -0.4719 1.0628 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2576 -0.9315 -0.4167 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2473 -2.1019 0.4234 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2287 1.1232 1.5846 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0571 2.1055 1.1354 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0510 1.7159 2.4548 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3609 3.4058 2.1301 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8675 4.5824 0.0274 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5052 3.4912 -1.2154 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1984 3.4538 -0.8287 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3956 1.1290 1.5854 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6031 0.7387 -1.1977 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 4 1 0 0 0 0 1 5 2 0 0 0 0 2 11 1 0 0 0 0 3 48 1 0 0 0 0 4 49 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 10 1 0 0 0 0 6 21 1 0 0 0 0 7 9 1 0 0 0 0 7 22 1 0 0 0 0 7 23 1 0 0 0 0 8 11 1 0 0 0 0 8 24 1 0 0 0 0 8 25 1 0 0 0 0 9 12 1 0 0 0 0 9 26 1 0 0 0 0 9 27 1 0 0 0 0 10 28 1 0 0 0 0 10 29 1 0 0 0 0 10 30 1 0 0 0 0 11 31 1 0 0 0 0 11 32 1 0 0 0 0 12 13 2 0 0 0 0 12 33 1 0 0 0 0 13 14 1 0 0 0 0 13 16 1 0 0 0 0 14 15 1 0 0 0 0 14 34 1 0 0 0 0 14 35 1 0 0 0 0 15 17 1 0 0 0 0 15 36 1 0 0 0 0 15 37 1 0 0 0 0 16 38 1 0 0 0 0 16 39 1 0 0 0 0 16 40 1 0 0 0 0 17 18 2 0 0 0 0 17 41 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 19 42 1 0 0 0 0 19 43 1 0 0 0 0 19 44 1 0 0 0 0 20 45 1 0 0 0 0 20 46 1 0 0 0 0 20 47 1 0 0 0 0 M END > <PUBCHEM_COMPOUND_CID> 5280322 > <PUBCHEM_CONFORMER_RMSD> 1.4 > <PUBCHEM_CONFORMER_DIVERSEORDER> 4 11 8 46 28 39 36 33 7 48 2 30 15 25 3 22 12 9 34 18 47 14 10 45 24 21 26 31 29 16 37 19 32 40 6 43 13 20 44 17 23 27 1 42 35 5 38 41 > <PUBCHEM_MMFF94_PARTIAL_CHARGES> 20 1 1.51 11 0.28 12 -0.29 13 -0.28 14 0.14 15 0.14 16 0.14 17 -0.29 18 -0.28 19 0.14 2 -0.55 20 0.14 3 -0.77 33 0.15 4 -0.77 41 0.15 48 0.5 49 0.5 5 -0.7 9 0.14 > <PUBCHEM_EFFECTIVE_ROTOR_COUNT> 10 > <PUBCHEM_PHARMACOPHORE_FEATURES> 9 1 10 hydrophobe 1 16 hydrophobe 1 3 acceptor 1 4 acceptor 1 5 acceptor 3 18 19 20 hydrophobe 4 1 3 4 5 anion 4 13 14 15 17 hydrophobe 5 6 7 8 9 12 hydrophobe > <PUBCHEM_HEAVY_ATOM_COUNT> 20 > <PUBCHEM_ATOM_DEF_STEREO_COUNT> 0 > <PUBCHEM_ATOM_UDEF_STEREO_COUNT> 1 > <PUBCHEM_BOND_DEF_STEREO_COUNT> 1 > <PUBCHEM_BOND_UDEF_STEREO_COUNT> 0 > <PUBCHEM_ISOTOPIC_ATOM_COUNT> 0 > <PUBCHEM_COMPONENT_COUNT> 1 > <PUBCHEM_CACTVS_TAUTO_COUNT> 1 > <PUBCHEM_CONFORMER_ID> 0050924200000004 > <PUBCHEM_MMFF94_ENERGY> -10.891 > <PUBCHEM_FEATURE_SELFOVERLAP> 45.734 > <PUBCHEM_SHAPE_FINGERPRINT> 10498660 4 18340480054925785215 12156800 1 14146711589770750649 13122387 1 16321750038439609220 13994607 96 17897757394201883686 14114207 22 16175293324620019833 14123250 116 18341061713324257185 14251740 79 18410584972295005500 14251745 187 18127966618991648336 14787075 74 18116436028120284087 14931854 50 18411417302027689365 15848702 105 18407759235432168450 17492 54 18409163320718692109 19930381 70 16827553523573894215 20715895 44 17540791929504281461 20765182 40 18341603876553980824 21141583 151 18271811262866886012 23352939 185 17985275320402708083 23590187 71 18412824659805336023 44154327 71 17838899227255852201 469060 322 17387436690357681843 526903 126 18411699868078969153 > <PUBCHEM_SHAPE_MULTIPOLES> 391.96 7.22 4.38 1.46 3.48 1.24 0.53 1.22 -2.47 -1.08 0.71 0.46 -0.07 -0.55 > <PUBCHEM_SHAPE_SELFOVERLAP> 726.843 > <PUBCHEM_SHAPE_VOLUME> 247.8 > <PUBCHEM_COORDINATE_TYPE> 2 5 10 $$$$
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Structure for FDB023901 (Dolichol phosphate)