CHEBI:315019 - cilofungin

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ChEBI Name cilofungin
ChEBI ID CHEBI:315019
Definition A cyclic hexapeptide echinocandin antibiotic isolated from Aspergillus spp. By inhibiting the conversion of lanosterol to ergosterol, it invades a fungus' ability to synthesize cell walls. A modified form of echinocandin B, it is an antimycotic agent against Candida albicans.
Stars This entity has been manually annotated by the ChEBI Team.
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Formula C49H71N7O17
Net Charge 0
Average Mass 1030.12470
Monoisotopic Mass 1029.49064
InChI InChI=1S/C49H71N7O17/c1-5-6-7-8-9-10-19-73-31-17-13-28(14-18-31)42(65)50-32-21-34(61)45(68)54-47(70)38-39(62)24(2)22-56(38)49(72)36(26(4)58)52-46(69)37(41(64)40(63)27-11-15-29(59)16-12-27)53-44(67)33-20-30(60)23-55(33)48(71)35(25(3)57)51-43(32)66/h11-18,24-26,30,32-41,45,57-64,68H,5-10,19-23H2,1-4H3,(H,50,65)(H,51,66)(H,52,69)(H,53,67)(H,54,70)/t24-,25+,26+,30+,32-,33-,34+,35-,36-,37-,38-,39-,40-,41-,45+/m0/s1
InChIKey ZKZKCEAHVFVZDJ-MTUMARHDSA-N
SMILES CCCCCCCCOc1ccc(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): EC 2.4.1.34 (1,3-beta-glucan synthase) inhibitor
A EC 2.4.1.* (hexosyltransferase) inhibitor that inhibits the action of 1,3-beta-glucan synthase (EC 2.4.1.34).
(via echinocandin )
antifungal agent
An antimicrobial agent that destroys fungi by suppressing their ability to grow or reproduce.
(via antibiotic antifungal agent )
antifungal drug
Any antifungal agent used to prevent or treat fungal infections in humans or animals.
(via antibiotic antifungal drug )
Application(s): antiinfective agent
A substance used in the prophylaxis or therapy of infectious diseases.
antifungal drug
Any antifungal agent used to prevent or treat fungal infections in humans or animals.
(via antibiotic antifungal drug )
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ChEBI Ontology
Outgoing cilofungin (CHEBI:315019) has role antiinfective agent (CHEBI:35441)
cilofungin (CHEBI:315019) is a antibiotic antifungal drug (CHEBI:87113)
cilofungin (CHEBI:315019) is a echinocandin (CHEBI:57248)
IUPAC Names
5.1:6-anhydro{(4R,5R)-4,5-dihydroxy-N2-[4-(octyloxy)benzoyl]-L-ornithyl-L-threonyl-(4R)-4-hydroxy-L-prolyl-(4S)-4-hydroxy-4-(4-hydroxyphenyl)-L-threonyl-L-threonyl-(3S,4S)-3-hydroxy-4-methyl-L-proline}
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-(octyloxy)benzamide
INNs Sources
cilofungin ChemIDplus
cilofungina ChemIDplus
cilofungine WHO MedNet
cilofunginum ChemIDplus
Synonyms Sources
LY-121019 ChEBI
LY121019 ChemIDplus
Manual Xref Database
Cilofungin Wikipedia
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Registry Numbers Types Sources
7164873 Beilstein Registry Number Beilstein
7164873 Reaxys Registry Number Reaxys
79404-91-4 CAS Registry Number ChemIDplus
Citations Waiting for Citations Types Sources
2504601 PubMed citation Europe PMC
2589848 PubMed citation Europe PMC
2802565 PubMed citation Europe PMC
3058017 PubMed citation Europe PMC
3243737 PubMed citation Europe PMC
Last Modified
24 July 2015