CHEBI:210109 - Deoxyapoaranotin

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Deoxyapoaranotin
ChEBI ID CHEBI:210109
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C20H16N2O5S2
Net Charge 0
Average Mass 428.480
Monoisotopic Mass 428.05006
InChI InChI=1S/C20H16N2O5S2/c1-11(23)27-15-6-7-26-10-13-9-20-17(24)21-14-5-3-2-4-12(14)8-19(21,28-29-20)18(25)22(20)16(13)15/h2-7,10,15-16H,8-9H2,1H3/t15-,16-,19+,20+/m0/s1
InChIKey NUWJPBORJRNCDP-XAMWDVODSA-N
SMILES S1S[C@]23N([C@@H]4[C@@H](OC(=O)C)C=COC=C4C2)C([C@]15N(C=6C=CC=CC6C5)C3=O)=O
Metabolite of Species Details
Aspergillusspecies KMD 901 (NCBI:txid658537) See: PubMed
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing Deoxyapoaranotin (CHEBI:210109) is a indolyl carboxylic acid (CHEBI:46867)
IUPAC Name
[(1R,4S,5S,12R)-2,13-dioxo-8-oxa-22,23-dithia-3,14-diazahexacyclo[10.9.2.01,14.03,12.04,10.015,20]tricosa-6,9,15,17,19-pentaen-5-yl] acetate
Manual Xref Database
27022859 ChemSpider
View more database links