小分子和化合物库
选项
-
-
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
-
-
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
-
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
-
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
-
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
-
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
-
棕榈酸-1-(¹³C)CAS号: 57677-53-9分子式: (13C)C15H32O2 分子量: 257.42IUPAC Name: (113C)hexadecanoic acidSMILES: CCCCCCCCCCCCCCCC(=O)OInChIKey: IPCSVZSSVZVIGE-LOYIAQTISA-NInChI: 1S/C16H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h2-15H2,1H3,(H,17,18)/i16+1
-
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
-
甲泛葡胺CAS号: 31112-62-6 EC号: 250-475-5分子式: C18H22I3N3O8 分子量: 789.1IUPAC Name: 3-acetamido-5-[acetyl(methyl)amino]-2,4,6-triiodo-N-[(3R,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]benzamideSMILES: CC(=O)NC1=C(C(=C(C(=C1I)C(=O)NC2C(C(C(OC2O)CO)O)O)I)N(C)C(=O)C)IInChIKey: BAQCROVBDNBEEB-UBYUBLNFSA-NInChI: 1S/C18H22I3N3O8/c1-5(26)22-12-9(19)8(10(20)14(11(12)21)24(3)6(2)27)17(30)23-13-16(29)15(28)7(4-25)32-18(13)31/h7,13,15-16,18,25,28-29,31H,4H2,1-3H3,(H,22,26)(H,23,30)/t7-,13-,15-,16-,18?/m1/s1
-
癸酰辅酶 A 水合物CAS号: 1264-57-9分子式: C31H54N7O17P3S • XH2O 分子量: 921.78(anhydrous basis)IUPAC Name: See moreSMILES: CCCCCCCCCC(=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: CNKJPHSEFDPYDB-HSJNEKGZSA-NInChI: See more
首页
400-620-6333











