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

MAE

Summary
Name:MALEIC ACID
Formula:C4 H4 O4
Formal charge:0
Formula weight:116.072 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.04(2Z)-but-2-enedioic acid
OpenEye OEToolkits1.5.0but-2-enedioic acid

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O=C(O)\C=C/C(=O)O
SMILES_CANONICALCACTVS3.341OC(=O)\C=C/C(O)=O
SMILESCACTVS3.341OC(=O)C=CC(O)=O
SMILES_CANONICALOpenEye OEToolkits1.5.0C(=C/C(=O)O)/C(=O)O
SMILESOpenEye OEToolkits1.5.0C(=CC(=O)O)C(=O)O
InChIInChI1.03InChI=1S/C4H4O4/c5-3(6)1-2-4(7)8/h1-2H,(H,5,6)(H,7,8)/b2-1-
InChIKeyInChI1.03VZCYOOQTPOCHFL-UPHRSURJSA-N

227111

数据于2024-11-06公开中

PDB statisticsPDBj update infoContact PDBjnumon