SEQ2FUN

BioLiP

PDB CCD ID: HMB
Number of entries in BioLiP: 2
Chemical formula: C5 H10 O4
InChI: InChI=1S/C5H10O4/c1-9-5(8)3-2-4(6)7/h5,8H,2-3H2,1H3,(H,6,7)/t5-/m0/s1
InChIKey: ONECVBBAMLSRPV-YFKPBYRVSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.0COC(CCC(=O)O)O
ACDLabs 12.01O=C(O)CCC(O)OC
CACTVS 3.370CO[CH](O)CCC(O)=O
CACTVS 3.370CO[C@H](O)CCC(O)=O
Name:(4S)-4-hydroxy-4-methoxybutanoic acid
ZINC: ZINC000098208998
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).