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caspofungin
A semisynthetic cyclic hexapeptide echinocandin antibiotic which exerts its effect by inhibiting the synthesis of 1,3-beta-D-glucan, an integral component of the fungal cell wall.


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03. Biological Effects of Specific Chemicals: antimicrobial agent [CHEBI:33281] > antifungal agent [CHEBI:35718]
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05. Industrial Uses: pharmaceutical [CHEBI:52217]
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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 [CHEBI:474180] (1)
05. Industrial Uses 
05. Industrial Uses
 pharmaceutical [CHEBI:52217] (1978) 
 drug [CHEBI:23888] (1930) 
 antiinfective agent [CHEBI:35441] (82) 
 caspofungin [CHEBI:474180] (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) 
 amide [CHEBI:32988] (1863) 
 primary amide [CHEBI:33256] (1586) 
 carboxamide [CHEBI:37622] (1381) 
 peptide [CHEBI:16670] (730) 
 cyclic peptide [CHEBI:23449] (75) 
 homodetic cyclic peptide [CHEBI:24613] (46) 
 caspofungin [CHEBI:474180] (1)
 lipopeptide [CHEBI:46895] (60) 
 echinocandin [CHEBI:57248] (4) 
 caspofungin [CHEBI:474180] (1)
 organonitrogen compound [CHEBI:35352] (6705) 
 carboxamide [CHEBI:37622] (1381) 
 peptide [CHEBI:16670] (730) 
 cyclic peptide [CHEBI:23449] (75) 
 homodetic cyclic peptide [CHEBI:24613] (46) 
 caspofungin [CHEBI:474180] (1)
 lipopeptide [CHEBI:46895] (60) 
 echinocandin [CHEBI:57248] (4) 
 caspofungin [CHEBI:474180] (1)
 organic amino compound [CHEBI:50047] (2472) 
 peptide [CHEBI:16670] (730) 
 cyclic peptide [CHEBI:23449] (75) 
 homodetic cyclic peptide [CHEBI:24613] (46) 
 caspofungin [CHEBI:474180] (1)
 lipopeptide [CHEBI:46895] (60) 
 echinocandin [CHEBI:57248] (4) 
 caspofungin [CHEBI:474180] (1)
 chalcogen molecular entity [CHEBI:33304] (15225) 
 oxygen molecular entity [CHEBI:25806] (14414) 
 organooxygen compound [CHEBI:36963] (11352) 
 carboxamide [CHEBI:37622] (1381) 
 peptide [CHEBI:16670] (730) 
 cyclic peptide [CHEBI:23449] (75) 
 homodetic cyclic peptide [CHEBI:24613] (46) 
 caspofungin [CHEBI:474180] (1)
 lipopeptide [CHEBI:46895] (60) 
 echinocandin [CHEBI:57248] (4) 
 caspofungin [CHEBI:474180] (1)
 organochalcogen compound [CHEBI:36962] (11874) 
 organooxygen compound [CHEBI:36963] (11352) 
 carboxamide [CHEBI:37622] (1381) 
 peptide [CHEBI:16670] (730) 
 cyclic peptide [CHEBI:23449] (75) 
 homodetic cyclic peptide [CHEBI:24613] (46) 
 caspofungin [CHEBI:474180] (1)
 lipopeptide [CHEBI:46895] (60) 
 echinocandin [CHEBI:57248] (4) 
 caspofungin [CHEBI:474180] (1)
 carbon group molecular entity [CHEBI:33582] (23847) 
 organic molecular entity [CHEBI:50860] (23769) 
 lipid [CHEBI:18059] (3532) 
 lipopeptide [CHEBI:46895] (60) 
 echinocandin [CHEBI:57248] (4) 
 caspofungin [CHEBI:474180] (1)
 heteroorganic entity [CHEBI:33285] (15197) 
 organonitrogen compound [CHEBI:35352] (6705) 
 carboxamide [CHEBI:37622] (1381) 
 peptide [CHEBI:16670] (730) 
 cyclic peptide [CHEBI:23449] (75) 
 homodetic cyclic peptide [CHEBI:24613] (46) 
 caspofungin [CHEBI:474180] (1)
 lipopeptide [CHEBI:46895] (60) 
 echinocandin [CHEBI:57248] (4) 
 caspofungin [CHEBI:474180] (1)
 organic amino compound [CHEBI:50047] (2472) 
 peptide [CHEBI:16670] (730) 
 cyclic peptide [CHEBI:23449] (75) 
 homodetic cyclic peptide [CHEBI:24613] (46) 
 caspofungin [CHEBI:474180] (1)
 lipopeptide [CHEBI:46895] (60) 
 echinocandin [CHEBI:57248] (4) 
 caspofungin [CHEBI:474180] (1)
 organochalcogen compound [CHEBI:36962] (11874) 
 organooxygen compound [CHEBI:36963] (11352) 
 carboxamide [CHEBI:37622] (1381) 
 peptide [CHEBI:16670] (730) 
 cyclic peptide [CHEBI:23449] (75) 
 homodetic cyclic peptide [CHEBI:24613] (46) 
 caspofungin [CHEBI:474180] (1)
 lipopeptide [CHEBI:46895] (60) 
 echinocandin [CHEBI:57248] (4) 
 caspofungin [CHEBI:474180] (1)
 organic amino compound [CHEBI:50047] (2472) 
 peptide [CHEBI:16670] (730) 
 cyclic peptide [CHEBI:23449] (75) 
 homodetic cyclic peptide [CHEBI:24613] (46) 
 caspofungin [CHEBI:474180] (1)
 lipopeptide [CHEBI:46895] (60) 
 echinocandin [CHEBI:57248] (4) 
 caspofungin [CHEBI:474180] (1)
ChEBI Compound Accession Identifier  [CHEBI:474180]
ChEBI Compound Description  A semisynthetic cyclic hexapeptide echinocandin antibiotic which exerts its effect by inhibiting the synthesis of 1,3-beta-D-glucan, an integral component of the fungal cell wall.
ChEBI Compound Identification Number  474180
ChEBI InChI Value  InChI=1S/C52H88N10O15/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/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)/t28?,29?,30-,33-,34+,35+,36-,37+,38-,40+,41+,42+,43+,44+,45+,46+/m1/s1
ChEBI InChIKey Value  JYIKNQVWKBUSNH-OGZDCFRISA-N
ChEBI Compound Name  caspofungin
ChEBI SMILES Value  [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  85663384
ChEBI URL  ChEBI:474180
ChemSpider ID  411774
Ontomatica Chemical Accession Key (OnChAKey)  JYIKNQVWKBUSNH_OGZDCFRISA_N_000_000000
PubChem Compound ID  2826718