Compound Search
化合物数据库
基于 PubChem CID 索引,支持名称 / 同义词 / CAS / SMILES 检索。
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WUKKQCHCWUFXJJ-LZECHPHMSA-N PubChem CID 131725684
CC(C)C[C@H](CN)CC(=O)O.OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)C(O)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@H]1O -
BGPGTNFNPKOVOH-FMKTXTHOSA-N PubChem CID 131728609
C#C[C@]1(OC(C)=O)CC[C@H]2[C@@H]3CCC4=C/C(=N\O)CC[C@@H]4[C@H]3CC[C@@]21CC.OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)C(O)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@H]1O -
BIKNIFKONKUNPV-BBDBATISSA-N PubChem CID 131738013
CC(C)c1c(C(=O)Nc2ccccc2)c(-c2ccccc2)c(-c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)O.OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)C(O)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@H]1O -
PBKOFZMURHEVIU-TYKNGVHGSA-N PubChem CID 131738099
C#C[C@]1(O)CC[C@H]2[C@@H]3[C@H](C)CC4=C(CCC(=O)C4)[C@H]3CC[C@@]21C.OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)C(O)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@H]1O -
GJRYRIYKKNBIHM-NEFFFVOYSA-N PubChem CID 131738128
CCCCC(=O)N(Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1)[C@H](C(=O)O)C(C)C.OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)C(O)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@H]1O -
IXEGZUAPEXGXDK-RJMJUYIDSA-N PubChem CID 131738469
C1=Cc2ccccc2NN=C1.OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)C(O)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@H]1O -
QXUAFCKBYYPTPQ-ZWKAXHIPSA-L PubChem CID 131740565
CCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCCC(=O)[O-].OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)C(O)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@H]1O.[Mg+2] -
(2R,3R,4R,5R)-2,5,6-Trihydroxy-4-(((2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-3-(((2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)hexanal CAS 41312-47-4 PubChem CID 131853786
C[C@@H]1O[C@@H](O[C@@H]([C@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)CO)[C@@H](O)C=O)[C@@H](O)[C@H](O)[C@@H]1O -
(2S,3R,4S,5S,6R)-2-(((2R,3S,4R,5R)-6-((3,5-Dimethyladamantan-1-yl)amino)-4,5-dihydroxy-2-(hydroxymethyl)tetrahydro-2H-pyran-3-yl)oxy)-6-(hydroxymethyl)tetrahydro-2H-pyran-3,4,5-triol CAS 1159637-28-1 PubChem CID 131866345
CC12CC3CC(C)(C1)CC(NC1O[C@H](CO)[C@@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@H](O)[C@H]1O)(C3)C2 -
CC(=O)N[C@H]1[C@H](O[C@H]2[C@@H](O)[C@@H](CO)O[C@@H](O[C@@H]([C@H](O)[C@@H](O)C=O)[C@H](O)CO)[C@@H]2O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@]3(C(=O)O)C[C@H](O)[C@@H](NC(C)=O)[C@H]([C@H](O)[C@H](O)CO)O3)[C@H]2O)[C@@H]1O[C@@H]1O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]1O -
(2R,3S,4S,5R,6S)-3,5-Dihydroxy-2-(hydroxymethyl)-6-(((2R,3R,4R,5R)-1,2,4,5-tetrahydroxy-6-oxohexan-3-yl)oxy)tetrahydro-2H-pyran-4-yl hydrogen sulfate CAS 159358-51-7 PubChem CID 131874499
O=C[C@H](O)[C@@H](O)[C@H](O[C@@H]1O[C@H](CO)[C@H](O)[C@H](OS(=O)(=O)O)[C@H]1O)[C@H](O)CO -
Neu5Ac alpha(2-3)Gal beta(1-4)[Fuc alpha(1-3)]GlcNAc beta(1-3)Gal beta(1-4)Glc-Ethylamine PubChem CID 132274889
CC(=O)NC1C(OC2C(O)C(CO)OC(OC3C(CO)OC(OCCN)C(O)C3O)C2O)OC(CO)C(OC2OC(CO)C(O)C(OC3(C(=O)O)CC(O)C(NC(C)=O)C([C@H](O)[C@H](O)CO)O3)C2O)C1OC1OC(C)C(O)C(O)C1O -
Neu5Ac alpha(2-3)Gal beta(1-4)[Fuc alpha(1-3)]GlcNAc beta(1-3)Gal beta(1-4)Glc-Ethylazide PubChem CID 132274890
CC(=O)NC1C(OC2C(O)C(CO)OC(OC3C(CO)OC(OCCN=[N+]=[N-])C(O)C3O)C2O)OC(CO)C(OC2OC(CO)C(O)C(OC3(C(=O)O)CC(O)C(NC(C)=O)C([C@H](O)[C@H](O)CO)O3)C2O)C1OC1OC(C)C(O)C(O)C1O -
sodium (2S,4S,6R)-2-{[(2R,3S,4S,5R,6S)-3,5-dihydroxy-2-(hydroxymethyl)-6-{[(2R,3R,4R,5R)-1,2,4,5-tetrahydroxy-6-oxohexan-3-yl]oxy}oxan-4-yl]oxy}-5-acetamido-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylate CAS 128596-80-5 PubChem CID 132285170
CC(=O)NC1[C@H]([C@H](O)[C@H](O)CO)O[C@@](O[C@H]2[C@@H](O)[C@@H](CO)O[C@@H](O[C@@H]([C@H](O)[C@@H](O)C=O)[C@H](O)CO)[C@@H]2O)(C(=O)[O-])C[C@@H]1O.[Na+] -
OC[C@@H]1O[C@@H](O)[C@@H](O)[C@H](O)[C@H]1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O -
(2S,3R,4S,5S,6R)-2-(((2R,3S,4R,5R,6R)-4,5-DIHYDROXY-2-(HYDROXYMETHYL)-6-(2-(PHTHALAZIN-1-YL)HYDRAZINYL)TETRAHYDRO-2H-PYRAN-3-YL)OXY)-6-(HYDROXYMETHYL)TETRAHYDRO-2H-PYRAN-3,4,5-TRIOL PubChem CID 139025187
OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](NNc3nncc4ccccc34)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@H]1O -
CC(C)(S)C(NC1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O)C(=O)O -
4-O-ss-D-galactopyranosyl-D-mannose; 4-O-ss-D-galactopyranosyl-mannose; Epilactose; CAS 50468-56-9 PubChem CID 139026056
OC[C@H]1O[C@@H](O[C@H]2C(O)[C@H](O)C(O)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@H]1O -
(E)-6-(2-(Phthalazin-1-yl)hydrazono)-3-(((2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)hexane-1,2,4,5-tetraol PubChem CID 139026057
OCC(O)C(O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)C(O)C(O)/C=N/Nc1nncc2ccccc12 -
SCHEMBL29886011 PubChem CID 140523825
[N-]=[N+]=NC1(O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O