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anidulafungin
An azamacrocyclic anti-fungal drug.


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03. Biological Effects of Specific Chemicals: antimicrobial agent [CHEBI:33281] > antifungal agent [CHEBI:35718] > anidulafungin [CHEBI:55346]
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03. Biological Effects of Specific Chemicals 
03. Biological Effects of Specific Chemicals
 antimicrobial agent [CHEBI:33281] (927) 
 antibiotic [CHEBI:22582] (193) 
 anidulafungin [CHEBI:55346] (1)
 antifungal agent [CHEBI:35718] (130) 
 anidulafungin [CHEBI:55346] (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) 
 heterodetic cyclic peptide [CHEBI:24533] (29) 
 anidulafungin [CHEBI:55346] (1)
 organonitrogen compound [CHEBI:35352] (6705) 
 carboxamide [CHEBI:37622] (1381) 
 peptide [CHEBI:16670] (730) 
 cyclic peptide [CHEBI:23449] (75) 
 heterodetic cyclic peptide [CHEBI:24533] (29) 
 anidulafungin [CHEBI:55346] (1)
 organic amino compound [CHEBI:50047] (2472) 
 peptide [CHEBI:16670] (730) 
 cyclic peptide [CHEBI:23449] (75) 
 heterodetic cyclic peptide [CHEBI:24533] (29) 
 anidulafungin [CHEBI:55346] (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) 
 heterodetic cyclic peptide [CHEBI:24533] (29) 
 anidulafungin [CHEBI:55346] (1)
 organochalcogen compound [CHEBI:36962] (11874) 
 organooxygen compound [CHEBI:36963] (11352) 
 carboxamide [CHEBI:37622] (1381) 
 peptide [CHEBI:16670] (730) 
 cyclic peptide [CHEBI:23449] (75) 
 heterodetic cyclic peptide [CHEBI:24533] (29) 
 anidulafungin [CHEBI:55346] (1)
 carbon group molecular entity [CHEBI:33582] (23847) 
 organic molecular entity [CHEBI:50860] (23769) 
 heteroorganic entity [CHEBI:33285] (15197) 
 organonitrogen compound [CHEBI:35352] (6705) 
 carboxamide [CHEBI:37622] (1381) 
 peptide [CHEBI:16670] (730) 
 cyclic peptide [CHEBI:23449] (75) 
 heterodetic cyclic peptide [CHEBI:24533] (29) 
 anidulafungin [CHEBI:55346] (1)
 organic amino compound [CHEBI:50047] (2472) 
 peptide [CHEBI:16670] (730) 
 cyclic peptide [CHEBI:23449] (75) 
 heterodetic cyclic peptide [CHEBI:24533] (29) 
 anidulafungin [CHEBI:55346] (1)
 organochalcogen compound [CHEBI:36962] (11874) 
 organooxygen compound [CHEBI:36963] (11352) 
 carboxamide [CHEBI:37622] (1381) 
 peptide [CHEBI:16670] (730) 
 cyclic peptide [CHEBI:23449] (75) 
 heterodetic cyclic peptide [CHEBI:24533] (29) 
 anidulafungin [CHEBI:55346] (1)
 organic amino compound [CHEBI:50047] (2472) 
 peptide [CHEBI:16670] (730) 
 cyclic peptide [CHEBI:23449] (75) 
 heterodetic cyclic peptide [CHEBI:24533] (29) 
 anidulafungin [CHEBI:55346] (1)
 polyatomic entity [CHEBI:36357] (18777) 
 molecule [CHEBI:25367] (11520) 
 cyclic compound [CHEBI:33595] (7817) 
 macrocycle [CHEBI:51026] (234) 
 azamacrocycle [CHEBI:52898] (7) 
 anidulafungin [CHEBI:55346] (1)
ChEBI Compound Accession Identifier  [CHEBI:55346]
ChEBI Compound Description  An azamacrocyclic anti-fungal drug.
ChEBI Compound Identification Number  55346
ChEBI InChI Value  InChI=1S/C58H73N7O17/c1-5-6-7-24-82-40-22-18-35(19-23-40)33-10-8-32(9-11-33)34-12-14-37(15-13-34)51(74)59-41-26-43(70)54(77)63-56(79)47-48(71)29(2)27-65(47)58(81)45(31(4)67)61-55(78)46(50(73)49(72)36-16-20-38(68)21-17-36)62-53(76)42-25-39(69)28-64(42)57(80)44(30(3)66)60-52(41)75/h8-23,29-31,39,41-50,54,66-73,77H,5-7,24-28H2,1-4H3,(H,59,74)(H,60,75)(H,61,78)(H,62,76)(H,63,79)/t29-,30+,31+,39+,41-,42-,43+,44-,45-,46-,47-,48-,49-,50-,54+/m0/s1
ChEBI InChIKey Value  JHVAMHSQVVQIOT-MFAJLEFUSA-N
ChEBI Compound Name  anidulafungin
ChEBI SMILES Value  [H][C@]1(NC(=O)[C@@H](NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)[C@H](C[C@@H](O)[C@@H](O)NC(=O)[C@@H]2[C@@H](O)[C@@H](C)CN2C1=O)NC(=O)c1ccc(cc1)-c1ccc(cc1)-c1ccc(OCCCCC)cc1)[C@@H](C)O)[C@H](O)[C@@H](O)c1ccc(O)cc1)[C@@H](C)O
ChEBI Substance ID  87351905
ChEBI URL  ChEBI:55346
ChemSpider ID  145752
Ontomatica Chemical Accession Key (OnChAKey)  JHVAMHSQVVQIOT_MFAJLEFUSA_N_000_000000
PubChem Compound ID  166548