Loading
PDBj
MenuPDBj@FacebookPDBj@TwitterPDBj@YouTubewwPDB FoundationwwPDB
RCSB PDBPDBeBMRBAdv. SearchSearch help

BFH

Summary
Name:1-(carboxymethyl)-1H-benzo[g]indole-2-carboxylic acid
Formula:C15 H11 N O4
Formal charge:0
Formula weight:269.252 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.011-(carboxymethyl)-1H-benzo[g]indole-2-carboxylic acid
OpenEye OEToolkits1.7.01-(carboxymethyl)benzo[g]indole-2-carboxylic acid

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=C(O)c3cc2c(c1ccccc1cc2)n3CC(=O)O
SMILES_CANONICALCACTVS3.370OC(=O)Cn1c(cc2ccc3ccccc3c12)C(O)=O
SMILESCACTVS3.370OC(=O)Cn1c(cc2ccc3ccccc3c12)C(O)=O
SMILES_CANONICALOpenEye OEToolkits1.7.0c1ccc2c(c1)ccc3c2n(c(c3)C(=O)O)CC(=O)O
SMILESOpenEye OEToolkits1.7.0c1ccc2c(c1)ccc3c2n(c(c3)C(=O)O)CC(=O)O
InChIInChI1.03InChI=1S/C15H11NO4/c17-13(18)8-16-12(15(19)20)7-10-6-5-9-3-1-2-4-11(9)14(10)16/h1-7H,8H2,(H,17,18)(H,19,20)
InChIKeyInChI1.03AKGLRHRNGGDMDM-UHFFFAOYSA-N

218853

PDB entries from 2024-04-24

PDB statisticsPDBj update infoContact PDBjnumon