SEQ2FUN

BioLiP

PDB CCD ID: 8AS
Number of entries in BioLiP: 0
Chemical formula: C7 H13 N O3
InChI: InChI=1S/C7H13NO3/c9-7(10)1-2-8-3-5-11-6-4-8/h1-6H2,(H,9,10)
InChIKey: YUYHRSGXZZVNMS-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.6C1COCCN1CCC(=O)O
ACDLabs 12.01O=C(CCN1CCOCC1)O
CACTVS 3.385OC(=O)CCN1CCOCC1
Name:3-(morpholin-4-yl)propanoic acid
ChEMBL: CHEMBL1623240
ZINC: ZINC000001235155
Reference:
  • Chengxin Zhang, Xi Zhang, Lydia Freddolino, and Yang Zhang. BioLiP2: an updated structure database for biologically relevent ligand-protein interactions, Nucleic Acids Research, gkad630 (2023).
  • Jianyi Yang, Ambrish Roy, and Yang Zhang. BioLiP: a semi-manually curated database for biologically relevant ligand-protein interactions, Nucleic Acids Research, 41: D1096-D1103 (2013) (download the PDF file).