小分子和化合物库
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直接蓝 1CAS号: 2610-05-1分子式: C34H24N6Na4O16S4 分子量: 992.79IUPAC Name: tetrasodium;4-amino-6-[[4-[4-[(8-amino-1-hydroxy-5,7-disulfonatonaphthalen-2-yl)diazenyl]-3-methoxyphenyl]-2-methoxyphenyl]diazenyl]-5-hydroxynaphthalene-1,3-disulfonateSMILES: COC1=C(C=CC(=C1)C2=CC(=C(C=C2)N=NC3=C(C4=C(C=C3)C(=CC(=C4N)S(=O)(=O)[O-])S(=O)(=O)[O-])O)OC)N=NC5=C(C6=C(C=C5)C(=CC(=C6N)S(=O)(=O)[O-])S(=O)(=O)[O-])O.[Na+].[Na+].[Na+].[Na+]InChIKey: BPHHNXJPFPEJOF-UHFFFAOYSA-JInChI: See more
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1-硬脂酰基-2-油酰基-sn-甘油-3-磷酸胆碱CAS号: 56421-10-4 Compound CID : 24778825分子式: C44H86NO8P 分子量: 788.129IUPAC Name: [(2R)-3-octadecanoyloxy-2-[(Z)-octadec-9-enoyl]oxypropyl] 2-(trimethylazaniumyl)ethyl phosphateSMILES: CCCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCC=CCCCCCCCCInChIKey: ATHVAWFAEPLPPQ-VRDBWYNSSA-NInChI: See more
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1-硬脂酰基-2-羟基-sn-甘油-3-磷酸酯(钠盐)CAS号: 325465-92-7 Compound CID : 131675276分子式: C21H42O7PNa 分子量: 460.518IUPAC Name: disodium;[(2R)-2-hydroxy-3-octadecanoyloxypropyl] phosphateSMILES: CCCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)([O-])[O-])O.[Na+].[Na+]InChIKey: CPDDUIFEWSUUJZ-FAVHNTAZSA-LInChI: 1S/C21H43O7P.2Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(23)27-18-20(22)19-28-29(24,25)26;;/h20,22H,2-19H2,1H3,(H2,24,25,26);;/q;2*+1/p-2/t20-;;/m1../s1
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1,2-二油酰基-sn-甘油-3-磷酰-rac-(1-甘油) 钠盐CAS号: 67254-28-8 EC号: 200-663-8分子式: C42H78O10PNa 分子量: 797.03IUPAC Name: sodium;[(2R)-2,3-bis[[(Z)-octadec-9-enoyl]oxy]propyl] 2,3-dihydroxypropyl phosphateSMILES: CCCCCCCCC=CCCCCCCCC(=O)OCC(COP(=O)([O-])OCC(CO)O)OC(=O)CCCCCCCC=CCCCCCCCC.[Na+]InChIKey: IUVFCFQZFCOKRC-IPKKNMRRSA-MInChI: See more
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西仑吉肽CAS号: 188968-51-6分子式: C27H40N8O7 分子量: 588.66IUPAC Name: 2-[(2S,5R,8S,11S)-5-benzyl-11-[3-(diaminomethylideneamino)propyl]-7-methyl-3,6,9,12,15-pentaoxo-8-propan-2-yl-1,4,7,10,13-pentazacyclopentadec-2-yl]acetic acidSMILES: CC(C)C1C(=O)NC(C(=O)NCC(=O)NC(C(=O)NC(C(=O)N1C)CC2=CC=CC=C2)CC(=O)O)CCCN=C(N)NInChIKey: AMLYAMJWYAIXIA-VWNVYAMZSA-NInChI: See more
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色霉素 A3分子式: C57H82O26 分子量: 1183.25IUPAC Name: See moreSMILES: CC1C(C(CC(O1)OC2C(CC3=C(C2=O)C(=C4C(=C3)C=C(C(=C4O)C)OC5CC(C(C(O5)C)OC(=O)C)OC6CC(C(C(O6)C)OC)O)O)C(C(=O)C(C(C)O)O)OC)OC7CC(C(C(O7)C)O)OC8CC(C(C(O8)C)OC(=O)C)(C)O)OInChIKey: ZYVSOIYQKUDENJ-WKSBCEQHSA-NInChI: See more
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γ-亚麻酸乙酯CAS号: 31450-14-3 Compound CID : 9883013分子式: C20H34O2 分子量: 306.48IUPAC Name: ethyl (6Z,9Z,12Z)-octadeca-6,9,12-trienoateSMILES: CCCCCC=CCC=CCC=CCCCCC(=O)OCCInChIKey: MJLYTDAIYLGSRZ-ORZIMQNZSA-NInChI: 1S/C20H34O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22-4-2/h8-9,11-12,14-15H,3-7,10,13,16-19H2,1-2H3/b9-8-,12-11-,15-14-
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