CHEBI:219971 - Acetylaranotin

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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 Acetylaranotin
ChEBI ID CHEBI:219971
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C22H20N2O8S2
Net Charge 0
Average Mass 504.530
Monoisotopic Mass 504.06611
InChI InChI=1S/C22H20N2O8S2/c1-11(25)31-15-3-5-29-9-13-7-21-20(28)24-18-14(10-30-6-4-16(18)32-12(2)26)8-22(24,34-33-21)19(27)23(21)17(13)15/h3-6,9-10,15-18H,7-8H2,1-2H3
InChIKey OHTZNUUGYPDWEB-UHFFFAOYSA-N
SMILES S1SC23N(C4C(OC(=O)C)C=COC=C4C2)C(C15N(C6C(OC(=O)C)C=COC=C6C5)C3=O)=O
Metabolite of Species Details
Aspergillus terreus (NCBI:txid33178) See: DOI
Roles Classification
Chemical Role(s): Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
(via organic amino compound )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing Acetylaranotin (CHEBI:219971) is a 2,5-diketopiperazines (CHEBI:65061)
Acetylaranotin (CHEBI:219971) is a indoles (CHEBI:24828)
Acetylaranotin (CHEBI:219971) is a organic disulfide (CHEBI:35489)
Acetylaranotin (CHEBI:219971) is a organic heteropentacyclic compound (CHEBI:38164)
IUPAC Name
(16-acetyloxy-2,13-dioxo-8,19-dioxa-23,24-dithia-3,14-diazahexacyclo[10.10.2.01,14.03,12.04,10.015,21]tetracosa-6,9,17,20-tetraen-5-yl) acetate
Manual Xref Database
141705 ChemSpider
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