CHEBI:55346 - anidulafungin

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name anidulafungin
ChEBI ID CHEBI:55346
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.
Supplier Information
Download Molfile XML SDF
Wikipedia License
Waiting for wikipedia content
Read full article at Wikipedia
Formula C58H73N7O17
Net Charge 0
Average Mass 1140.23690
Monoisotopic Mass 1139.506
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
InChIKey JHVAMHSQVVQIOT-MFAJLEFUSA-N
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)
IUPAC Name
N-{(2R,6S,9S,11R,12R,14aS,15S,16S,20S,23S,25aS)-23-[(1S,2S)-1,2-dihydroxy-2-(4-hydroxyphenyl)ethyl]-2,11,12,15-tetrahydroxy-6,20-bis[(1R)-1-hydroxyethyl]-16-methyl-5,8,14,19,22,25-hexaoxotetracosahydro-1H-dipyrrolo[2,1-c:2',1'-l][1,4,7,10,13,16]hexaazacyclohenicosin-9-yl}-4''-(pentyloxy)-1,1':4',1''-terphenyl-4-carboxamide
INNs Sources
anidulafungin ChemIDplus
anidulafungina WHO MedNet
anidulafungine WHO MedNet
anidulafunginum WHO MedNet
Brand Name Source
Eraxis KEGG DRUG
Manual Xrefs Databases
Anidulafungin Wikipedia
D03211 KEGG DRUG
DB00362 DrugBank
View more database links
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
15482216 PubMed citation Europe PMC
16770294 PubMed citation Europe PMC
17316149 PubMed citation Europe PMC
19072176 PubMed citation Europe PMC
19113794 PubMed citation Europe PMC
19877739 PubMed citation Europe PMC
19877740 PubMed citation Europe PMC
19877741 PubMed citation Europe PMC
19877742 PubMed citation Europe PMC
24165173 PubMed citation Europe PMC
24955796 PubMed citation Europe PMC
25473029 PubMed citation Europe PMC
Last Modified
10 April 2018