BioLiP

PDB

BioLiP

PDB CCD ID:

H5M

Number of entries in BioLiP:

Chemical formula:

C6 H11 N O3

InChI:

InChI=1S/C6H11NO3/c1-3-2-4(8)5(7-3)6(9)10/h3-5,7-8H,2H2,1H3,(H,9,10)/t3-,4-,5-/m0/s1

InChIKey:

RVIGBNHLNBRMFX-YUPRTTJUSA-N

SMILES:

Software	SMILES
ACDLabs 10.04	O=C(O)C1NC(C)CC1O
CACTVS 3.341	C[C@H]1C[C@H](O)[C@H](N1)C(O)=O
CACTVS 3.341	C[CH]1C[CH](O)[CH](N1)C(O)=O
OpenEye OEToolkits 1.5.0	CC1CC(C(N1)C(=O)O)O
OpenEye OEToolkits 1.5.0	C[C@H]1C[C@@H]([C@H](N1)C(=O)O)O

Name:

TRANS-3-HYDROXY-5-METHYLPROLINE

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).