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more general categories information about this item 03. Biological Effects of Specific Chemicals 03. Biological Effects of Specific Chemicals antimicrobial agent [CHEBI:33281] (927) antifungal agent [CHEBI:35718] (130) caspofungin acetate [CHEBI:59900] (1) 05. Industrial Uses 05. Industrial Uses pharmaceutical [CHEBI:52217] (1978) drug [CHEBI:23888] (1930) antiinfective agent [CHEBI:35441] (82) caspofungin acetate [CHEBI:59900] (1) 08. Chemical Category 08. Chemical Category polyatomic entity [CHEBI:36357] (18777) heteroatomic molecular entity [CHEBI:37577] (13672) salt [CHEBI:24866] (931) organic salt [CHEBI:24868] (775) acetate salt [CHEBI:59230] (12) caspofungin acetate [CHEBI:59900] (1) ChEBI Compound Accession Identifier: [CHEBI:59900] ChEBI Compound Description: The diacetate salt of caspofungin. It is used for the treatment of invasive candidiasis, and of aspergillosis in patients who are refractory to, or intolerant of, other therapy. ChEBI Compound Identification Number: 59900 ChEBI InChI Value: "InChI=1S/C52H88N10O15.2C2H4O2/c1-5-28(2)24-29(3)12-10-8-6-7-9-11-13-39(69)56-34-26-38(68)46(55-22-21-54)60-50(75)43-37(67)19-23-61(43)52(77)41(36(66)18-20-53)58-49(74)42(45(71)44(70)31-14-16-32(64)17-15-31)59-48(73)35-25-33(65)27-62(35)51(76)40(30(4)63)57-47(34)72;2*1-2(3)4/h14-17,28-30,33-38,40-46,55,63-68,70-71H,5-13,18-27,53-54H2,1-4H3,(H,56,69)(H,57,72)(H,58,74)(H,59,73)(H,60,75);2*1H3,(H,3,4)/t28?,29?,30-,33-,34+,35+,36-,37+,38-,40+,41+,42+,43+,44+,45+,46+;;/m1../s1" ChEBI InChIKey Value: OGUJBRYAAJYXQP-LLXMLGLCSA-N ChEBI Compound Name: caspofungin acetate ChEBI SMILES Value: CC(O)=O.CC(O)=O.[H][C@@]1(C[C@@H](O)[C@@H](NCCN)NC(=O)[C@@H]2[C@@H](O)CCN2C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@]2([H])C[C@@H](O)CN2C(=O)[C@@H](NC1=O)[C@@H](C)O)[C@H](O)[C@@H](O)c1ccc(O)cc1)[C@H](O)CCN)NC(=O)CCCCCCCCC(C)CC(C)CC ChEBI Substance ID: 99319525 ChEBI URL: ChEBI:59900 ChemSpider ID: NS Ontomatica Chemical Accession Key (OnChAKey): OGUJBRYAAJYXQP_LLXMLGLCSA_N_000_000000 PubChem Compound ID: 6850808