小分子和化合物库
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D-果糖-1-磷酸二钠盐CAS号: 71662-09-4 Compound CID : 117751分子式: C6H11Na2O9P 分子量: 304.10IUPAC Name: disodium;[(3S,4R,5R)-3,4,5,6-tetrahydroxy-2-oxohexyl] phosphateSMILES: C(C(C(C(C(=O)COP(=O)([O-])[O-])O)O)O)O.[Na+].[Na+]InChIKey: ZWRAEINUXILZBD-ABICQQBESA-LInChI: 1S/C6H13O9P.2Na/c7-1-3(8)5(10)6(11)4(9)2-15-16(12,13)14;;/h3,5-8,10-11H,1-2H2,(H2,12,13,14);;/q;2*+1/p-2/t3-,5-,6-;;/m1../s1
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β-甲基巴豆酰基辅酶A锂盐CAS号: 108347-83-7 Compound CID : 16219611分子式: C26H42N7O17P3S•xLi 分子量: 849.63SMILES: [Li].CC(=CC(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)N2C=NC3=C(N=CN=C32)N)O)OP(=O)(O)O)O)CInChIKey: XFSTZOBMDWRSLY-UHFFFAOYSA-NInChI: See more
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丙二酰辅酶A四锂盐CAS号: 116928-84-8分子式: C24H34N7O19P3S・4Li 分子量: 877.31IUPAC Name: See moreSMILES: [Li+].[Li+].[Li+].[Li+].CC(C)(COP(=O)([O-])OP(=O)([O-])OCC1C(C(C(O1)N2C=NC3=C(N=CN=C32)N)O)OP(=O)([O-])[O-])C(C(=O)NCCC(=O)NCCSC(=O)CC(=O)O)OInChIKey: DQLXXYMNINXQSV-QTRRCMKVSA-JInChI: See more
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乙酰乙酰辅酶 A 钠盐 水合物分子式: C25H40N7O18P3S·xNa+·yH2O 分子量: 851.61(anhydrous free acid basis)IUPAC Name: See moreSMILES: CC(=O)CC(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)N2C=NC3=C(N=CN=C32)N)O)OP(=O)(O)O)OInChIKey: OJFDKHTZOUZBOS-CITAKDKDSA-NInChI: See more
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乳清苷分子式: C10H12N2O8 分子量: 288.21IUPAC Name: 3-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2,6-dioxopyrimidine-4-carboxylic acidSMILES: C1=C(N(C(=O)NC1=O)C2C(C(C(O2)CO)O)O)C(=O)OInChIKey: FKCRAVPPBFWEJD-XVFCMESISA-NInChI: 1S/C10H12N2O8/c13-2-4-6(15)7(16)8(20-4)12-3(9(17)18)1-5(14)11-10(12)19/h1,4,6-8,13,15-16H,2H2,(H,17,18)(H,11,14,19)/t4-,6-,7-,8-/m1/s1
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双丙氨膦酸钠盐CAS号: 71048-99-2 Compound CID : 23704544分子式: C11H21N3NaO6P 分子量: 345.26IUPAC Name: sodium;(2S)-2-[[(2S)-2-[[(2S)-2-amino-4-[hydroxy(methyl)phosphoryl]butanoyl]amino]propanoyl]amino]propanoateSMILES: CC(C(=O)NC(C)C(=O)[O-])NC(=O)C(CCP(=O)(C)O)N.[Na+]InChIKey: RTWIRLHWLMNVCC-WQYNNSOESA-MInChI: 1S/C11H22N3O6P.Na/c1-6(9(15)14-7(2)11(17)18)13-10(16)8(12)4-5-21(3,19)20;/h6-8H,4-5,12H2,1-3H3,(H,13,16)(H,14,15)(H,17,18)(H,19,20);/q;+1/p-1/t6-,7-,8-;/m0./s1
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尿苷-5'-三磷酸三盐CAS号: 108321-53-5 Compound CID : 6133分子量: 484.14SMILES: C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O
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异雌三醇CAS号: 547-81-9分子式: C18H24O3 分子量: 288.38IUPAC Name: (8R,9S,13S,14S,16S,17R)-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,16,17-triolSMILES: CC12CCC3C(C1CC(C2O)O)CCC4=C3C=CC(=C4)OInChIKey: PROQIPRRNZUXQM-ZMSHIADSSA-NInChI: 1S/C18H24O3/c1-18-7-6-13-12-5-3-11(19)8-10(12)2-4-14(13)15(18)9-16(20)17(18)21/h3,5,8,13-17,19-21H,2,4,6-7,9H2,1H3/t13-,14-,15+,16+,17+,18+/m1/s1
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替瓦洛辛CAS号: 63409-12-1 Compound CID : 6441094分子式: C53H87NO19 分子量: 1042.25IUPAC Name: See moreSMILES: CCC1C(C=C(C=CC(=O)C(CC(C(C(C(CC(=O)O1)OC(=O)C)C)OC2C(C(C(C(O2)C)OC3CC(C(C(O3)C)OC(=O)CC(C)C)(C)O)N(C)C)O)CC=O)C)C)COC4C(C(C(C(O4)C)O)OC)OCInChIKey: KCJJINQANFZSAM-HZDSEHBESA-NInChI: See more
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月桂酰辅酶A锂盐CAS号: 190063-12-8分子式: C33H58N7O17P3S 分子量: 955.77IUPAC Name: See moreSMILES: [Li+].CCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP([O-])(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)n2cnc3c(N)ncnc23InChIKey: FWNUZMNRIPYTPZ-CDSRRKEDSA-MInChI: See more
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棕榈酰辅酶A锂盐CAS号: 188174-64-3 Compound CID : 71308765分子式: C37H65N7O17P3S · xLi+ 分子量: 1004.94 (free acid basis)IUPAC Name: See moreSMILES: [Li+].CCCCCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)N2C=NC3=C(N=CN=C32)N)O)OP(=O)(O)[O-])OInChIKey: BSAYABVAJQBKKB-NNGKVBCISA-MInChI: See more
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