CHEBI:107571 - 2-(1-benzimidazolyl)acetic acid [2-[(9,10-dioxo-1-anthracenyl)amino]-2-oxoethyl] ester

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 2-(1-benzimidazolyl)acetic acid [2-[(9,10-dioxo-1-anthracenyl)amino]-2-oxoethyl] ester
ChEBI ID CHEBI:107571
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C25H17N3O5
Net Charge 0
Average Mass 439.421
Monoisotopic Mass 439.11682
InChI InChI=1S/C25H17N3O5/c29-21(13-33-22(30)12-28-14-26-18-9-3-4-11-20(18)28)27-19-10-5-8-17-23(19)25(32)16-7-2-1-6-15(16)24(17)31/h1-11,14H,12-13H2,(H,27,29)
InChIKey FESKMXJZZBQTPN-UHFFFAOYSA-N
SMILES C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=CC=C3)NC(=O)COC(=O)CN4C=NC5=CC=CC=C54
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 2-(1-benzimidazolyl)acetic acid [2-[(9,10-dioxo-1-anthracenyl)amino]-2-oxoethyl] ester (CHEBI:107571) is a anthraquinone (CHEBI:22580)
2-(1-benzimidazolyl)acetic acid [2-[(9,10-dioxo-1-anthracenyl)amino]-2-oxoethyl] ester (CHEBI:107571) is a depsipeptide (CHEBI:23643)
Manual Xref Database
LSM-18927 LINCS
View more database links
Last Modified
09 June 2016