cilofungin (CHEBI:315019)

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CHEBI:315019 - cilofungin

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ChEBI ID	CHEBI:315019
ChEBI Name	cilofungin
Stars
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.
Last Modified	24 July 2015
Downloads	Molfile

Formula	C49H71N7O17
Net Charge	0
Average Mass	1030.139
Monoisotopic Mass	1029.49064
SMILES	CCCCCCCCOc1ccc(C(=O)N[C@H]2C[C@@H](O)[C@@H](O)NC(=O)[C@@H]3[C@@H](O)[C@@H](C)CN3C(=O)[C@H]([C@@H](C)O)NC(=O)[C@H]([C@H](O)[C@@H](O)c3ccc(O)cc3)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@H]([C@@H](C)O)NC2=O)cc1
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

Wikipedia

Roles Classification

Chemical Roles:	Bronsted base A molecular entity capable of accepting a hydron from a donor (Brønsted acid). Bronsted base A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Biological Roles:	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-β-glucan synthase (EC 2.4.1.34). antifungal agent An antimicrobial agent that destroys fungi by suppressing their ability to grow or reproduce. antifungal drug Any antifungal agent used to prevent or treat fungal infections in humans or animals. antifungal agent An antimicrobial agent that destroys fungi by suppressing their ability to grow or reproduce. antifungal agent An antimicrobial agent that destroys fungi by suppressing their ability to grow or reproduce.
Applications:	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.

ChEBI Ontology

Outgoing Relation(s)
	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	Source
cilofungin	ChemIDplus
cilofungina	ChemIDplus
cilofungine	WHO MedNet
cilofunginum	ChemIDplus

Synonyms	Source
LY-121019	ChEBI
LY121019	ChemIDplus

Manual Xrefs	Databases
Cilofungin	Wikipedia

Registry Numbers	Sources
Reaxys:7164873	Reaxys
CAS:79404-91-4	ChemIDplus

Citations