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小分子和化合物库
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DL-哌酸-d9CAS号: 790612-94-1分子式: C6H2D9NO2 分子量: 138.21IUPAC Name: 2,3,3,4,4,5,5,6,6-nonadeuteriopiperidine-2-carboxylic acidSMILES: C1CCNC(C1)C(=O)OInChIKey: HXEACLLIILLPRG-UHUJFCCWSA-NInChI: 1S/C6H11NO2/c8-6(9)5-3-1-2-4-7-5/h5,7H,1-4H2,(H,8,9)/i1D2,2D2,3D2,4D2,5D
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肉豆蔻酸-1-（¹³C）CAS号: 57677-52-8 EC号: 208-875-2 (unlabeled)分子式: C13(13C)H28O2 分子量: 229.36IUPAC Name: (113C)tetradecanoic acidSMILES: CCCCCCCCCCCCCC(=O)OInChIKey: TUNFSRHWOTWDNC-UJKGMGNHSA-NInChI: 1S/C14H28O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16/h2-13H2,1H3,(H,15,16)/i14+1
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25-羟基维生素D₃-23,24,25,26,27-¹³C₅溶液CAS号: 19356-17-3分子式: C27H44O2 分子量: 400.64IUPAC Name: (1S,3Z)-3-[(2E)-2-[(1R,3aS,7aR)-1-[(2R)-6-hydroxy-6-methylheptan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexan-1-olSMILES: CC(CCCC(C)(C)O)C1CCC2C1(CCCC2=CC=C3CC(CCC3=C)O)CInChIKey: JWUBBDSIWDLEOM-DTOXIADCSA-NInChI: 1S/C27H44O2/c1-19-10-13-23(28)18-22(19)12-11-21-9-7-17-27(5)24(14-15-25(21)27)20(2)8-6-16-26(3,4)29/h11-12,20,23-25,28-29H,1,6-10,13-18H2,2-5H3/b21-11+,22-12-/t20-,23+,24-,25+,27-/m1/s1
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L-丝氨酸-¹⁵NCAS号: 59935-32-9分子式: HOCH2CH(15NH2)CO2H 分子量: 106.09IUPAC Name: (2S)-2-(15N)azanyl-3-hydroxypropanoic acidSMILES: C(C(C(=O)O)N)OInChIKey: MTCFGRXMJLQNBG-GZPBOPPUSA-NInChI: 1S/C3H7NO3/c4-2(1-5)3(6)7/h2,5H,1,4H2,(H,6,7)/t2-/m0/s1/i4+1
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L-半胱氨酸-¹⁵NCAS号: 204523-09-1分子式: HSCH2CH(15NH2)CO2H 分子量: 122.15IUPAC Name: 2-(15N)azanyl-3-sulfanylpropanoic acidSMILES: C(C(C(=O)O)N)SInChIKey: XUJNEKJLAYXESH-AZXPZELESA-NInChI: 1S/C3H7NO2S/c4-2(1-7)3(5)6/h2,7H,1,4H2,(H,5,6)/i4+1
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L-天冬酰胺-¹⁵N₂ 一水合物CAS号: 287484-32-6分子式: H215NCOCH2CH(15NH2)CO2H·H2O 分子量: 152.12IUPAC Name: (2S)-2,4-bis(15N)(azanyl)-4-oxobutanoic acid;hydrateSMILES: C(C(C(=O)O)N)C(=O)N.OInChIKey: RBMGJIZCEWRQES-SQHSRYIDSA-NInChI: 1S/C4H8N2O3.H2O/c5-2(4(8)9)1-3(6)7;/h2H,1,5H2,(H2,6,7)(H,8,9);1H2/t2-;/m0./s1/i5+1,6+1;
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L-苯丙氨酸-¹⁵NCAS号: 29700-34-3分子式: C9H1115NO2 分子量: 166.18IUPAC Name: (2S)-2-(15N)azanyl-3-phenylpropanoic acidSMILES: C1=CC=C(C=C1)CC(C(=O)O)NInChIKey: COLNVLDHVKWLRT-YTRLMEAHSA-NInChI: 1S/C9H11NO2/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8H,6,10H2,(H,11,12)/t8-/m0/s1/i10+1
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L-谷氨酰胺-(酰胺-¹⁵N)CAS号: 59681-32-2分子式: H215NCO(CH2)2CH(NH2)CO2H 分子量: 147.14IUPAC Name: (2S)-2-amino-5-(15N)azanyl-5-oxopentanoic acidSMILES: C(CC(=O)N)C(C(=O)O)NInChIKey: ZDXPYRJPNDTMRX-QQKKVIQDSA-NInChI: 1S/C5H10N2O3/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H2,7,8)(H,9,10)/t3-/m0/s1/i7+1
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L-赖氨酸-¹³C₆盐酸盐CAS号: 1228077-86-8分子式: H2N(13CH2)413CH(NH2)13CO2H·HCl 分子量: 188.6IUPAC Name: (2S)-2,6-diamino(1,2,3,4,5,6-13C6)hexanoic acid;hydrochlorideSMILES: C(CCN)CC(C(=O)O)N.ClInChIKey: BVHLGVCQOALMSV-BOBMYJBMSA-NInChI: 1S/C6H14N2O2.ClH/c7-4-2-1-3-5(8)6(9)10;/h5H,1-4,7-8H2,(H,9,10);1H/t5-;/m0./s1/i1+1,2+1,3+1,4+1,5+1,6+1;
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亚精胺-(丁基-¹³C₄)三盐酸盐CAS号: 1313734-84-7 Compound CID : 71311067分子式: NH2(CH2)3NH(13CH2)4NH2 · 3HCl 分子量: 258.6IUPAC Name: N'-(3-aminopropyl)(1,2,3,4-13C4)butane-1,4-diamine;trihydrochlorideSMILES: C(CCNCCCN)CN.Cl.Cl.ClInChIKey: LCNBIHVSOPXFMR-GOOBRNBHSA-NInChI: 1S/C7H19N3.3ClH/c8-4-1-2-6-10-7-3-5-9;;;/h10H,1-9H2;3*1H/i1+1,2+1,4+1,6+1;;;
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叶酸-(谷氨酸-¹³C₅)CAS号: 1207282-75-4分子式: 13C5C14H19N7O6 分子量: 446.36IUPAC Name: 2-[[4-[(2-amino-4-oxo-3H-pteridin-6-yl)methylamino]benzoyl]amino](1,2,3,4,5-13C5)pentanedioic acidSMILES: C1=CC(=CC=C1C(=O)NC(CCC(=O)O)C(=O)O)NCC2=CN=C3C(=N2)C(=O)NC(=N3)NInChIKey: OVBPIULPVIDEAO-BCTWCYHZSA-NInChI: See more
