Endogenous Metabolite
选项
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抗坏血酸分子式: C6H8O6 分子量: 176.12IUPAC Name: (2R)-2-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxy-2H-furan-5-oneSMILES: OC([C@]([C@@H](O)CO)([H])O1)=C(O)C1=OInChIKey: CIWBSHSKHKDKBQ-JLAZNSOCSA-NInChI: InChI=1S/C6H8O6/c7-1-2(8)5-3(9)4(10)6(11)12-5/h2,5,7-10H,1H2/t2-,5+/m0/s1
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腺嘌呤 半硫酸盐分子式: C10H10N10•H2SO4 分子量: 368.34IUPAC Name: 7H-purin-6-amine;sulfuric acidSMILES: C1=NC2=NC=NC(=C2N1)N.C1=NC2=NC=NC(=C2N1)N.OS(=O)(=O)OInChIKey: LQXHSCOPYJCOMD-UHFFFAOYSA-NInChI: InChI=1S/2C5H5N5.H2O4S/c2*6-4-3-5(9-1-7-3)10-2-8-4;1-5(2,3)4/h2*1-2H,(H3,6,7,8,9,10);(H2,1,2,3,4)
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D-(+)-海藻糖 二水合物分子式: C12H22O11·2H2O 分子量: 378.33IUPAC Name: (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-3,4,5-triol;dihydrateSMILES: [H]O[H].[H]O[H].OC[C@H]1O[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1OInChIKey: DPVHGFAJLZWDOC-PVXXTIHASA-NInChI: InChI=1S/C12H22O11.2H2O/c13-1-3-5(15)7(17)9(19)11(21-3)23-12-10(20)8(18)6(16)4(2-14)22-12;;/h3-20H,1-2H2;2*1H2/t3-,4-,5-,6-,7+,8+,9-,10-,11-,12-;;/m1../s1
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叶酸分子式: C19H19N7O6 分子量: 441.4IUPAC Name: (2S)-2-[[4-[(2-amino-4-oxo-3H-pteridin-6-yl)methylamino]benzoyl]amino]pentanedioic acidSMILES: C1=CC(=CC=C1C(=O)NC(CCC(=O)O)C(=O)O)NCC2=CN=C3C(=N2)C(=O)NC(=N3)NInChIKey: OVBPIULPVIDEAO-LBPRGKRZSA-NInChI: InChI=1S/C19H19N7O6/c20-19-25-15-14(17(30)26-19)23-11(8-22-15)7-21-10-3-1-9(2-4-10)16(29)24-12(18(31)32)5-6-13(27)28/h1-4,8,12,21H,5-7H2,(H,24,29)(H,27,28)(H,31,32)(H3,20,22,25,26,30)/t12-/m0/s1
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D-(+)-葡萄糖分子式: C6H12O6 分子量: 180.16IUPAC Name: (2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanalSMILES: OC[C@H]1O[C@H](O)[C@H](O)[C@@H](O)[C@@H]1OInChIKey: GZCGUPFRVQAUEE-SLPGGIOYSA-NInChI: InChI=1S/C6H12O6/c7-1-3(9)5(11)6(12)4(10)2-8/h1,3-6,8-12H,2H2/t3-,4+,5+,6+/m0/s1
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D -泛酸 半钙盐分子式: C18H32CaN2O10 分子量: 476.54IUPAC Name: calcium;3-[[(2R)-2,4-dihydroxy-3,3-dimethylbutanoyl]amino]propanoateSMILES: CC(C)(CO)C(C(=O)NCCC(=O)[O-])O.CC(C)(CO)C(C(=O)NCCC(=O)[O-])O.[Ca+2]InChIKey: FAPWYRCQGJNNSJ-UBKPKTQASA-LInChI: InChI=1S/2C9H17NO5.Ca/c2*1-9(2,5-11)7(14)8(15)10-4-3-6(12)13;/h2*7,11,14H,3-5H2,1-2H3,(H,10,15)(H,12,13);/q;;+2/p-2/t2*7-;/m00./s1