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more general categories information about this item 05. Industrial Uses 05. Industrial Uses pharmaceutical [CHEBI:52217] (1978) drug [CHEBI:23888] (1930) gastrointestinal drug [CHEBI:55324] (24) ceruletide diethylamine [CHEBI:59223] (1) diagnostic agent [CHEBI:33295] (53) ceruletide diethylamine [CHEBI:59223] (1) 08. Chemical Category 08. Chemical Category main group molecular entity [CHEBI:33579] (25650) p-block molecular entity [CHEBI:33675] (25343) pnictogen molecular entity [CHEBI:33302] (10027) nitrogen molecular entity [CHEBI:51143] (7930) ammonium compound [CHEBI:35276] (129) organoammonium salt [CHEBI:46850] (104) ceruletide diethylamine [CHEBI:59223] (1) ChEBI Compound Accession Identifier: [CHEBI:59223] ChEBI Compound Description: The diethylamine salt of ceruletide. ChEBI Compound Identification Number: 59223 ChEBI InChI Value: "InChI=1S/C58H73N13O21S2.C4H11N/c1-29(72)49(71-57(87)40(23-31-12-14-33(15-13-31)92-94(89,90)91)68-56(86)43(26-48(78)79)69-52(82)37(16-18-44(59)73)65-51(81)36-17-19-45(74)63-36)58(88)62-28-46(75)64-41(24-32-27-61-35-11-7-6-10-34(32)35)54(84)66-38(20-21-93-2)53(83)70-42(25-47(76)77)55(85)67-39(50(60)80)22-30-8-4-3-5-9-30;1-3-5-4-2/h3-15,27,29,36-43,49,61,72H,16-26,28H2,1-2H3,(H2,59,73)(H2,60,80)(H,62,88)(H,63,74)(H,64,75)(H,65,81)(H,66,84)(H,67,85)(H,68,86)(H,69,82)(H,70,83)(H,71,87)(H,76,77)(H,78,79)(H,89,90,91);5H,3-4H2,1-2H3/t29-,36+,37+,38+,39+,40+,41+,42+,43+,49+;/m1./s1" ChEBI InChIKey Value: FHDKSYKZXIFRKJ-CBCFNHQSSA-N ChEBI Compound Name: ceruletide diethylamine ChEBI SMILES Value: CCNCC.[H][C@](NC(=O)[C@H](Cc1ccc(OS(O)(=O)=O)cc1)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCC(=O)N1)([C@@H](C)O)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O ChEBI Substance ID: 92741708 ChEBI URL: ChEBI:59223 ChemSpider ID: 10482266 Ontomatica Chemical Accession Key (OnChAKey): FHDKSYKZXIFRKJ_CBCFNHQSSA_N_000_000000 PubChem Compound ID: 16158172
