Preferred Name

anidulafungin

Synonyms

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

anidulafunginum

Eraxis

anidulafungin

anidulafungine

anidulafungina

Definitions

A semisynthetic echinocandin anti-fungal drug. It is active against Aspergillus and Candida species and is used for the treatment of invasive candidiasis.

ID

http://purl.obolibrary.org/obo/CHEBI_55346

charge

0

database_cross_reference

PMID:19877739

PMID:16770294

CAS:166663-25-8

DrugBank:DB00362

PMID:15482216

Beilstein:7408417

Reaxys:7408417

Wikipedia:Anidulafungin

PMID:19877741

KEGG:D03211

PMID:17316149

PMID:19877740

PMID:19113794

PMID:24955796

PMID:25473029

PMID:19072176

PMID:19877742

PMID:24165173

definition

A semisynthetic echinocandin anti-fungal drug. It is active against Aspergillus and Candida species and is used for the treatment of invasive candidiasis.

formula

C58H73N7O17

has_exact_synonym

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

has_obo_namespace

chebi_ontology

has_related_synonym

anidulafunginum

Eraxis

anidulafungin

anidulafungine

anidulafungina

id

CHEBI:55346

in_subset

http://purl.obolibrary.org/obo/chebi#3_STAR

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

label

anidulafungin

mass

1140.23690

monoisotopicmass

1139.50629

notation

CHEBI:55346

prefLabel

anidulafungin

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

treeView

http://purl.obolibrary.org/obo/CHEBI_52898

http://purl.obolibrary.org/obo/CHEBI_72588

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

http://purl.obolibrary.org/obo/CHEBI_24533

http://purl.obolibrary.org/obo/CHEBI_87113

subClassOf

http://purl.obolibrary.org/obo/CHEBI_52898

http://purl.obolibrary.org/obo/CHEBI_72588

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

http://purl.obolibrary.org/obo/CHEBI_24533

http://purl.obolibrary.org/obo/CHEBI_87113

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Delete Mapping To Ontology Source
http://purl.obolibrary.org/obo/CHEBI_55346 PDRO SAME_URI
http://purl.obolibrary.org/obo/CHEBI_55346 EUPATH SAME_URI
http://purl.obolibrary.org/obo/CHEBI_55346 INBANCIDO SAME_URI
http://purl.obolibrary.org/obo/CHEBI_55346 BERO SAME_URI
http://purl.obolibrary.org/obo/CHEBI_55346 TXPO SAME_URI
http://purl.obolibrary.org/obo/CHEBI_55346 BIOMODELS SAME_URI
http://purl.obolibrary.org/obo/CHEBI_55346 DRON SAME_URI
http://purl.obolibrary.org/obo/CHEBI_55346 CIDO SAME_URI
http://purl.obolibrary.org/obo/CHEBI_55346 PHIPO SAME_URI
http://purl.bioontology.org/ontology/NDDF/011233 NDDF LOOM
http://purl.bioontology.org/ontology/NDFRT/N0000171752 NDFRT LOOM
http://sbmi.uth.tmc.edu/ontology/ochv#C1142738 OCHV LOOM
http://purl.bioontology.org/ontology/ATC/J02AX06 ATC LOOM
http://purl.obolibrary.org/obo/CHEBI_55346 PDRO LOOM
http://purl.obolibrary.org/obo/CHEBI_55346 EUPATH LOOM
http://purl.obolibrary.org/obo/CHEBI_55346 INBANCIDO LOOM
http://purl.obolibrary.org/obo/CHEBI_55346 BERO LOOM
http://purl.obolibrary.org/obo/CHEBI_55346 TXPO LOOM
http://purl.obolibrary.org/obo/CHEBI_55346 BIOMODELS LOOM
http://purl.obolibrary.org/obo/CHEBI_55346 DRON LOOM
http://purl.obolibrary.org/obo/CHEBI_55346 CIDO LOOM
http://purl.obolibrary.org/obo/CHEBI_55346 PHIPO LOOM
http://purl.obolibrary.org/obo/NCIT_C38716 BERO LOOM
http://purl.obolibrary.org/obo/dinto_DB00362 DINTO LOOM
http://purl.obolibrary.org/obo/ARO_3007503 ARO LOOM
http://purl.bioontology.org/ontology/VANDF/4025092 VANDF LOOM
http://www.phoc.org.cn/pmo/class/PMO_00026039 PMAPP-PMO LOOM
http://purl.bioontology.org/ontology/LNC/MTHU032473 LOINC LOOM
http://evs.nci.nih.gov/ftp1/NDF-RT/NDF-RT.owl#N0000171752 INBANCIDO LOOM
http://evs.nci.nih.gov/ftp1/NDF-RT/NDF-RT.owl#N0000171752 CIDO LOOM
http://phenomebrowser.net/ontologies/mesh/mesh.owl#C102786 RH-MESH LOOM
http://ncicb.nci.nih.gov/xml/owl/EVS/Thesaurus.owl#C38716 NCIT LOOM
http://purl.bioontology.org/ontology/RXNORM/341018 RXNORM LOOM
http://purl.bioontology.org/ontology/SNOMEDCT/422157006 SNOMEDCT LOOM
http://purl.bioontology.org/ontology/MESH/D000077612 MESH LOOM
https://go.drugbank.com/drugs/DB00362 MDM LOOM
http://sbmi.uth.tmc.edu/ontology/ochv#55184 OCHV LOOM
http://purl.bioontology.org/ontology/LNC/LP94536-7 LOINC LOOM
http://purl.bioontology.org/ontology/PDQ/CDR0000328242 PDQ LOOM
http://purl.obolibrary.org/obo/DRON_00018854 INBANCIDO LOOM
http://purl.obolibrary.org/obo/DRON_00018854 CIDO LOOM