生物智能计算平台


共有49个化合物记录

编号 kegg_id pubchemid name formula structure 具体操作
1 C00001 3303 H2O H2O
27 C00027 3329 Hydrogen peroxide H2O2
48 C00048 3350 Glyoxylate C2H2O3
56 C00058 3358 Formate CH2O2
65 C00067 3367 Formaldehyde CH2O
105 C00209 3509 Oxalate C2H2O4
419 C00804 4062 Propynoate C3H2O2
445 C00830 4088 Oxomalonate C3H2O5
856 C01612 4764 Secondary alcohol CH2OR2
932 C01707 4845 Hemiacetal CH2O2R2
1010 C01935 5040 Maltodextrin H2O(C6H10O5)n
1080 C02028 5122 Dicarboxylate C2H2O4(CH2)n
1138 C02103 5185 (S)-2-Haloacid C2H2O2XR
1145 C02111 5193 2,4-Dioxo acid C4H2O4(R1)(R2)
1162 C02133 5212 Acyl phosphate CH2O5PR
1251 C02252 5315 Arylhydroxamate NH2OR
1296 C02319 5372 R-CHOH-CO-CH2OH C3H5O3R
1767 C03248 6117 Acetylenedicarboxylate C4H2O4
2267 C03999 6712 Alanyl-poly(glycerolphosphate) H2O(C6H12NO6P)n
2284 C04025 6731 alpha,omega-Dicarboxylic acid C2H2O4(CH2)n
2437 C04235 6904 3-Acetylenic fatty acyl thioesters C4H2OSR2
3258 C07195 9404 Vidarabine C10H13N5O4. H2O
3638 C07638 9840 Sodium stibogluconate C12H20O17Sb2. 9H2O. 3Na
3678 C07695 9897 Sodium nitroprusside dihydrate C5FeN6O. 2Na. 2H2O
3810 C08099 10299 Cephalexin monohydrate C16H17N3O4S. H2O
3820 C08109 10309 Loracarbef monohydrate C16H16ClN3O4. H2O
6404 C11307 13482 Cetylpyridinium chloride C21H38N. Cl. H2O
6437 C11340 13515 Antimony potassium tartrate C8H4O12Sb2. 2K. 3H2O
7125 C12505 582895 Magnesium sulfate MgSO4. 7H2O
7138 C12557 582947 Cefepime hydrochloride C19H25N6O5S2. HCl. Cl. H2O
7180 C12649 583039 Citric acid monohydrate C6H8O7. H2O
7224 C12839 583228 Piperazine phosphate H3PO4. C4H10N2. H2O
7245 C12933 583322 Rolitetracycline nitrate (C27H33N3O8)2. 2HNO3. 3H2O
7248 C12942 583331 Paraformaldehyde (CH2O)n
7287 C13102 585166 Bismuth subnitrate BiN3H2O9
7289 C13104 585168 Aluminoparaaminosalicylate calcium (C7H5NO3)2. Al. H2O. OH. Ca
7290 C13106 585170 Gadodiamide hydrate C16H26N5O8. Gd. xH2O
7533 C14295 17395295 Ritipenem acoxil hydrate C13H16N2O8S. H2O
7686 C14448 17395448 Glyoxal C2H2O2
8794 C15564 17396556 (R)-2-Haloacid C2H2O2XR
9812 C17207 96023616 1,4-beta-D-Mannooligosaccharide H2O(C6H10O5)n
9862 C17258 96023665 Calcium sulfate hemihydrate (CaSO4)2. H2O
11236 C19215 124489887 Cobalt sulfate CoSO4. 7H2O
11309 C19288 124489960 Palygorskite Mg(Al,Fe)Si4O10(OH). 4H2O
11541 C19522 124490194 Sepiolite Mg4(OH)2(Si2O5)3.6H2O
12277 C20592 172232329 Moniliformin C4H2O3
12505 C21335 319075059 1,2-beta-Oligomannan H2O(C6H10O5)n
12715 C21651 350078228 (R)-2-Alkyl-3-oxoalkanoate C3H2O3R2
12721 C21657 350078234 cis-3-Alkyl-4-alkyloxetan-2-one C3H2O2R2