小分子和化合物库
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二甲胺四环素盐酸盐分子式: C23H27N3O7.HCl 分子量: 493.94IUPAC Name: (4S,4aS,5aR,12aR)-4,7-bis(dimethylamino)-1,10,11,12a-tetrahydroxy-3,12-dioxo-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide;hydrochlorideSMILES: CN(C)C1C2CC3CC4=C(C=CC(=C4C(=C3C(=O)C2(C(=C(C1=O)C(=O)N)O)O)O)O)N(C)C.ClInChIKey: WTJXVDPDEQKTCV-VQAITOIOSA-NInChI: 1S/C23H27N3O7.ClH/c1-25(2)12-5-6-13(27)15-10(12)7-9-8-11-17(26(3)4)19(29)16(22(24)32)21(31)23(11,33)20(30)14(9)18(15)28;/h5-6,9,11,17,27-28,31,33H,7-8H2,1-4H3,(H2,24,32);1H/t9-,11-,17-,23-;/m0./s1
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N-甘氨酰-L-酪氨酸二水合物CAS号: 39630-46-1 Compound CID : 57349699分子式: C11H18N2O6 分子量: 274.27IUPAC Name: (2S)-2-[(2-aminoacetyl)amino]-3-(4-hydroxyphenyl)propanoic acid;dihydrateSMILES: C1=CC(=CC=C1CC(C(=O)O)NC(=O)CN)O.O.OInChIKey: VELZBUAWAUZDLF-WWPIYYJJSA-NInChI: 1S/C11H14N2O4.2H2O/c12-6-10(15)13-9(11(16)17)5-7-1-3-8(14)4-2-7;;/h1-4,9,14H,5-6,12H2,(H,13,15)(H,16,17);2*1H2/t9-;;/m0../s1
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L-谷胱甘肽(氧化型)CAS号: 27025-41-8 EC号: 248-170-7分子式: C20H32N6O12S2 分子量: 612.63IUPAC Name: (2S)-2-amino-5-[[(2R)-3-[[(2R)-2-[[(4S)-4-amino-4-carboxybutanoyl]amino]-3-(carboxymethylamino)-3-oxopropyl]disulfanyl]-1-(carboxymethylamino)-1-oxopropan-2-yl]amino]-5-oxopentanoic acidSMILES: N[C@@H](CCC(=O)N[C@@H](CSSC[C@H](NC(=O)CC[C@H](N)C(O)=O)C(=O)NCC(O)=O)C(=O)NCC(O)=O)C(O)=OInChIKey: YPZRWBKMTBYPTK-BJDJZHNGSA-NInChI: See more
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抗坏血酸CAS号: 50-81-7 EC号: 200-066-2, 200-066-2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: 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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核黄素分子式: C17H20N4O6 分子量: 376.36IUPAC Name: 7,8-dimethyl-10-[(2S,3S,4R)-2,3,4,5-tetrahydroxypentyl]benzo[g]pteridine-2,4-dioneSMILES: CC1=CC2=C(C=C1C)N(C3=NC(=O)NC(=O)C3=N2)CC(C(C(CO)O)O)OInChIKey: AUNGANRZJHBGPY-SCRDCRAPSA-NInChI: 1S/C17H20N4O6/c1-7-3-9-10(4-8(7)2)21(5-11(23)14(25)12(24)6-22)15-13(18-9)16(26)20-17(27)19-15/h3-4,11-12,14,22-25H,5-6H2,1-2H3,(H,20,26,27)/t11-,12+,14-/m0/s1
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(R)-(+)-α-硫辛酸CAS号: 1200-22-2分子式: C8H14O2S2 分子量: 206.33IUPAC Name: 5-[(3R)-dithiolan-3-yl]pentanoic acidSMILES: C1CSSC1CCCCC(=O)OInChIKey: AGBQKNBQESQNJD-SSDOTTSWSA-NInChI: 1S/C8H14O2S2/c9-8(10)4-2-1-3-7-5-6-11-12-7/h7H,1-6H2,(H,9,10)/t7-/m1/s1
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4-氨基蝶呤 水合物分子式: C19H20N8O5·xH2O 分子量: 440.41(as Anhydrous)IUPAC Name: (2S)-2-[[4-[(2,4-diaminopteridin-6-yl)methylamino]benzoyl]amino]pentanedioic acidSMILES: Nc1nc(N)c2nc(CNc3ccc(cc3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)cnc2n1InChIKey: TVZGACDUOSZQKY-LBPRGKRZSA-NInChI: 1S/C19H20N8O5/c20-15-14-16(27-19(21)26-15)23-8-11(24-14)7-22-10-3-1-9(2-4-10)17(30)25-12(18(31)32)5-6-13(28)29/h1-4,8,12,22H,5-7H2,(H,25,30)(H,28,29)(H,31,32)(H4,20,21,23,26,27)/t12-/m0/s1
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氢化可的松分子式: C21H30O5 分子量: 362.46IUPAC Name: (8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-oneSMILES: CC12CCC(=O)C=C1CCC3C2C(CC4(C3CCC4(C(=O)CO)O)C)OInChIKey: JYGXADMDTFJGBT-VWUMJDOOSA-NInChI: 1S/C21H30O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h9,14-16,18,22,24,26H,3-8,10-11H2,1-2H3/t14-,15-,16-,18+,19-,20-,21-/m0/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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