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

576

Summary
Name:(3S)-5-(9H-FLUOREN-2-YL)-3-HYDROXYPENTANOIC ACID
Formula:C18 H18 O3
Formal charge:0
Formula weight:282.334 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs10.04(3S)-5-(9H-fluoren-2-yl)-3-hydroxypentanoic acid
OpenEye OEToolkits1.6.1(3S)-5-(9H-fluoren-2-yl)-3-hydroxy-pentanoic acid

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O=C(O)CC(O)CCc3ccc2c1ccccc1Cc2c3
SMILES_CANONICALCACTVS3.352O[C@@H](CCc1ccc2c(Cc3ccccc23)c1)CC(O)=O
SMILESCACTVS3.352O[CH](CCc1ccc2c(Cc3ccccc23)c1)CC(O)=O
SMILES_CANONICALOpenEye OEToolkits1.6.1c1ccc-2c(c1)Cc3c2ccc(c3)CC[C@@H](CC(=O)O)O
SMILESOpenEye OEToolkits1.6.1c1ccc-2c(c1)Cc3c2ccc(c3)CCC(CC(=O)O)O
InChIInChI1.03InChI=1S/C18H18O3/c19-15(11-18(20)21)7-5-12-6-8-17-14(9-12)10-13-3-1-2-4-16(13)17/h1-4,6,8-9,15,19H,5,7,10-11H2,(H,20,21)/t15-/m0/s1
InChIKeyInChI1.03QNNGXIOOEUXOPM-HNNXBMFYSA-N

218500

PDB entries from 2024-04-17

PDB statisticsPDBj update infoContact PDBjnumon