BioModels Ontology

Last uploaded: April 3, 2012
Preferred Name

micafungin
Synonyms
Definitions

A cyclic hexapeptide echinocandin antibiotic which exerts its effect by inhibiting the synthesis of 1,3-beta-D-glucan, an integral component of the fungal cell wall. It is used as the acetic acid salt for the treatment of invasive candidiasis, and of aspergillosis in patients who are refractory to, or intolerant of, other therapy.

ID

http://purl.obolibrary.org/obo/CHEBI_600520

alternative term

InChIKey=PIEUQSKUWLMALL-YABMTYFHSA-N

Mycamine

5-[(1S,2S)-2-{(2R,6S,9S,11R,12R,14aS,15S,16S,20S,23S,25aS)-20-[(1R)-3-amino-1-hydroxy-3-oxopropyl]-2,11,12,15-tetrahydroxy-6-[(1R)-1-hydroxyethyl]-16-methyl-5,8,14,19,22,25-hexaoxo-9-[(4-{5-[4-(pentyloxy)phenyl]isoxazol-3-yl}benzoyl)amino]tetracosahydro-1H-dipyrrolo[2,1-c:2',1'-l][1,4,7,10,13,16]hexaazacyclohenicosin-23-yl}-1,2-dihydroxyethyl]-2-hydroxyphenyl hydrogen sulfate

micafungin

CCCCCOc1ccc(cc1)-c1cc(no1)-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)c(OS(O)(=O)=O)c1)[C@H](O)CC(N)=O

InChI=1S/C56H71N9O23S/c1-4-5-6-17-86-32-14-11-28(12-15-32)39-21-33(63-87-39)27-7-9-29(10-8-27)49(75)58-34-20-38(70)52(78)62-54(80)45-46(72)25(2)23-65(45)56(82)43(37(69)22-41(57)71)60-53(79)44(48(74)47(73)30-13-16-36(68)40(18-30)88-89(83,84)85)61-51(77)35-19-31(67)24-64(35)55(81)42(26(3)66)59-50(34)76/h7-16,18,21,25-26,31,34-35,37-38,42-48,52,66-70,72-74,78H,4-6,17,19-20,22-24H2,1-3H3,(H2,57,71)(H,58,75)(H,59,76)(H,60,79)(H,61,77)(H,62,80)(H,83,84,85)/t25-,26+,31+,34-,35-,37+,38+,42-,43-,44-,45-,46-,47-,48-,52+/m0/s1

C56H71N9O23S

5.1:6-anhydro{(4R,5R)-4,5-dihydroxy-N(2)-(4-{5-[4-(pentyloxy)phenyl]isoxazol-3-yl}benzoyl)-L-ornithyl-L-threonyl-(4R)-4-hydroxy-L-prolyl-(4S)-4-hydroxy-4-[4-hydroxy-3-(sulfooxy)phenyl]-L-threonyl-(3R)-3-hydroxy-L-glutaminyl-(3S,4S)-3-hydroxy-4-methyl-L-proline}

definition

A cyclic hexapeptide echinocandin antibiotic which exerts its effect by inhibiting the synthesis of 1,3-beta-D-glucan, an integral component of the fungal cell wall. It is used as the acetic acid salt for the treatment of invasive candidiasis, and of aspergillosis in patients who are refractory to, or intolerant of, other therapy.

has role

http://purl.obolibrary.org/obo/CHEBI_35441

http://purl.obolibrary.org/obo/CHEBI_35718

label

micafungin

prefixIRI

CHEBI:600520

prefLabel

micafungin

subClassOf

http://purl.obolibrary.org/obo/CHEBI_57248

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http://purl.obolibrary.org/obo/CHEBI_600520 DRON SAME_URI
http://purl.obolibrary.org/obo/CHEBI_600520 PDRO SAME_URI
http://purl.obolibrary.org/obo/CHEBI_600520 EUPATH SAME_URI
http://purl.obolibrary.org/obo/CHEBI_600520 HOIP SAME_URI
http://purl.obolibrary.org/obo/CHEBI_600520 DINTO SAME_URI
http://purl.obolibrary.org/obo/CHEBI_600520 GO-PLUS SAME_URI
http://purl.obolibrary.org/obo/CHEBI_600520 BERO SAME_URI
http://purl.obolibrary.org/obo/CHEBI_600520 DDSS SAME_URI
http://purl.obolibrary.org/obo/CHEBI_600520 TXPO SAME_URI
http://purl.obolibrary.org/obo/CHEBI_600520 UPHENO SAME_URI
http://purl.obolibrary.org/obo/CHEBI_600520 CHEBI SAME_URI
http://purl.obolibrary.org/obo/CHEBI_600520 PHIPO SAME_URI
http://purl.obolibrary.org/obo/CHEBI_600520 FYPO SAME_URI
http://purl.obolibrary.org/obo/CHEBI_600520 ECTO SAME_URI
http://purl.obolibrary.org/obo/CHEBI_600520 DRON LOOM
http://purl.obolibrary.org/obo/CHEBI_600520 PDRO LOOM
http://purl.obolibrary.org/obo/CHEBI_600520 EUPATH LOOM
http://purl.obolibrary.org/obo/CHEBI_600520 HOIP LOOM
http://purl.obolibrary.org/obo/CHEBI_600520 DINTO LOOM
http://purl.obolibrary.org/obo/CHEBI_600520 GO-PLUS LOOM
http://purl.obolibrary.org/obo/CHEBI_600520 BERO LOOM
http://purl.obolibrary.org/obo/CHEBI_600520 DDSS LOOM
http://purl.obolibrary.org/obo/CHEBI_600520 TXPO LOOM
http://purl.obolibrary.org/obo/CHEBI_600520 UPHENO LOOM
http://purl.obolibrary.org/obo/CHEBI_600520 CHEBI LOOM
http://purl.obolibrary.org/obo/CHEBI_600520 PHIPO LOOM
http://purl.obolibrary.org/obo/CHEBI_600520 FYPO LOOM
http://purl.obolibrary.org/obo/CHEBI_600520 ECTO LOOM
http://purl.bioontology.org/ontology/SNOMEDCT/416127003 SNOMEDCT LOOM
http://purl.obolibrary.org/obo/ARO_3007502 ARO LOOM
http://purl.bioontology.org/ontology/LNC/LP71329-4 LOINC LOOM
http://www.phoc.org.cn/pmo/class/PMO_00026040 PMAPP-PMO LOOM
http://purl.bioontology.org/ontology/MESH/D000077551 MESH LOOM
http://phenomebrowser.net/ontologies/mesh/mesh.owl#C121905 RH-MESH LOOM
http://purl.bioontology.org/ontology/RXNORM/325887 RXNORM LOOM
http://purl.bioontology.org/ontology/NDFRT/N0000022404 NDFRT LOOM
http://purl.bioontology.org/ontology/ATC/J02AX05 ATC LOOM
http://stirdf.jst.go.jp/id/200907041284909095 IOBC LOOM
http://purl.bioontology.org/ontology/PDQ/CDR0000043552 PDQ LOOM
http://sbmi.uth.tmc.edu/ontology/ochv#54786 OCHV LOOM
http://sbmi.uth.tmc.edu/ontology/ochv#C1120386 OCHV LOOM
http://purl.bioontology.org/ontology/LNC/MTHU030192 LOINC LOOM
http://purl.obolibrary.org/obo/NCIT_C1850 BERO LOOM
http://purl.bioontology.org/ontology/VANDF/4024948 VANDF LOOM
http://purl.bioontology.org/ontology/NDDF/010714 NDDF LOOM
http://purl.jp/bio/4/id/200906096814278518 IOBC LOOM
http://ncicb.nci.nih.gov/xml/owl/EVS/Thesaurus.owl#C1850 NCIT LOOM
https://go.drugbank.com/drugs/DB01141 MDM LOOM