小分子和化合物库
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柯诺辛碱 BCAS号: 17391-18-3分子式: C22H28N2O4 分子量: 384.5IUPAC Name: methyl (E)-2-[(3R,6'S,7'S,8'aS)-6'-ethyl-2-oxospiro[1H-indole-3,1'-3,5,6,7,8,8a-hexahydro-2H-indolizine]-7'-yl]-3-methoxyprop-2-enoateSMILES: CCC1CN2CCC3(C2CC1C(=COC)C(=O)OC)C4=CC=CC=C4NC3=OInChIKey: DAXYUDFNWXHGBE-XYEDMTIPSA-NInChI: 1S/C22H28N2O4/c1-4-14-12-24-10-9-22(17-7-5-6-8-18(17)23-21(22)26)19(24)11-15(14)16(13-27-2)20(25)28-3/h5-8,13-15,19H,4,9-12H2,1-3H3,(H,23,26)/b16-13+/t14-,15+,19+,22-/m1/s1
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烟酰胺核苷酸(NMN)分子式: C11H15N2O8P 分子量: 334.22IUPAC Name: [(2R,3S,4R,5R)-5-(3-carbamoylpyridin-1-ium-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl hydrogen phosphateSMILES: C1=CC(=C[N+](=C1)C2C(C(C(O2)COP(=O)(O)[O-])O)O)C(=O)NInChIKey: DAYLJWODMCOQEW-TURQNECASA-NInChI: 1S/C11H15N2O8P/c12-10(16)6-2-1-3-13(4-6)11-9(15)8(14)7(21-11)5-20-22(17,18)19/h1-4,7-9,11,14-15H,5H2,(H3-,12,16,17,18,19)/t7-,8-,9-,11-/m1/s1
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烟酰胺核糖氯化物(NR-CL)CAS号: 23111-00-4分子式: C11H15N2O5Cl 分子量: 290.7IUPAC Name: 1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyridin-1-ium-3-carboxamide;chlorideSMILES: C1=CC(=C[N+](=C1)C2C(C(C(O2)CO)O)O)C(=O)N.[Cl-]InChIKey: YABIFCKURFRPPO-IVOJBTPCSA-NInChI: 1S/C11H14N2O5.ClH/c12-10(17)6-2-1-3-13(4-6)11-9(16)8(15)7(5-14)18-11;/h1-4,7-9,11,14-16H,5H2,(H-,12,17);1H/t7-,8-,9-,11-;/m1./s1
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β-烟酰胺腺嘌呤二核苷酸(NAD)分子式: C21H27N7O14P2 · xH2O 分子量: 663.43 (anhydrous basis)IUPAC Name: [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [(2R,3S,4R,5R)-5-(3-carbamoylpyridin-1-ium-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphateSMILES: C1=CC(=C[N+](=C1)C2C(C(C(O2)COP(=O)([O-])OP(=O)(O)OCC3C(C(C(O3)N4C=NC5=C(N=CN=C54)N)O)O)O)O)C(=O)NInChIKey: BAWFJGJZGIEFAR-NNYOXOHSSA-NInChI: See more
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