CHEBI:201376 - Desethyl KBT-3022

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 Desethyl KBT-3022
ChEBI ID CHEBI:201376
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C23H20N2O4S
Net Charge 0
Average Mass 420.480
Monoisotopic Mass 420.11438
InChI InChI=1S/C23H20N2O4S/c1-28-17-9-5-15(6-10-17)21-22(16-7-11-18(29-2)12-8-16)30-23(24-21)19-4-3-13-25(19)14-20(26)27/h3-13H,14H2,1-2H3,(H,26,27)
InChIKey KJSPVPWIMGZXOF-UHFFFAOYSA-N
SMILES S1C(=NC(=C1C2=CC=C(OC)C=C2)C3=CC=C(OC)C=C3)C=4N(C=CC4)CC(=O)O
ChEBI Ontology
Outgoing Desethyl KBT-3022 (CHEBI:201376) has functional parent α-amino acid (CHEBI:33704)
Desethyl KBT-3022 (CHEBI:201376) is a organonitrogen compound (CHEBI:35352)
Desethyl KBT-3022 (CHEBI:201376) is a organooxygen compound (CHEBI:36963)
IUPAC Name
2-[2-[4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]pyrrol-1-yl]acetic acid
Manual Xrefs Databases
113311 ChemSpider
HMDB0251035 HMDB
View more database links