CHEBI:55346 - anidulafungin

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ChEBI Name anidulafungin
Definition A semisynthetic echinocandin anti-fungal drug. It is active against Aspergillus and Candida species and is used for the treatment of invasive candidiasis.
Stars This entity has been manually annotated by the ChEBI Team.
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Formula C58H73N7O17
Net Charge 0
Average Mass 1140.23690
Monoisotopic Mass 1139.50629
InChI 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
SMILES CCCCCOc1ccc(cc1)-c1ccc(cc1)-c1ccc(cc1)C(=O)N[C@H]1C[C@@H](O)[C@@H](O)NC(=O)[C@@H]2[C@@H](O)[C@@H](C)CN2C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC1=O)[C@@H](C)O)[C@H](O)[C@@H](O)c1ccc(O)cc1)[C@@H](C)O
Roles Classification
Chemical Role(s): Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
(via organic amino compound )
Biological Role(s): antifungal drug
Any antifungal agent used to prevent or treat fungal infections in humans or animals.
(via antibiotic antifungal drug )
antifungal agent
An antimicrobial agent that destroys fungi by suppressing their ability to grow or reproduce.
(via antibiotic antifungal agent )
Application(s): antifungal drug
Any antifungal agent used to prevent or treat fungal infections in humans or animals.
(via antibiotic antifungal drug )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing anidulafungin (CHEBI:55346) is a antibiotic antifungal drug (CHEBI:87113)
anidulafungin (CHEBI:55346) is a azamacrocycle (CHEBI:52898)
anidulafungin (CHEBI:55346) is a echinocandin (CHEBI:57248)
anidulafungin (CHEBI:55346) is a heterodetic cyclic peptide (CHEBI:24533)
anidulafungin (CHEBI:55346) is a semisynthetic derivative (CHEBI:72588)
INNs Sources
anidulafungin ChemIDplus
anidulafungina WHO MedNet
anidulafungine WHO MedNet
anidulafunginum WHO MedNet
Brand Name Source
Manual Xrefs Databases
Anidulafungin Wikipedia
DB00362 DrugBank
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Registry Numbers Types Sources
166663-25-8 CAS Registry Number DrugBank
166663-25-8 CAS Registry Number ChemIDplus
166663-25-8 CAS Registry Number KEGG DRUG
7408417 Beilstein Registry Number Beilstein
7408417 Reaxys Registry Number Reaxys
Citations Waiting for Citations Types Sources
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Last Modified
10 April 2018