BioLiP

PDB

BioLiP

PDB CCD ID:

JIX

Number of entries in BioLiP:

Chemical formula:

C7 H9 N O5

InChI:

InChI=1S/C7H9NO5/c8-7(6(11)12)1-13-4-2(3(4)7)5(9)10/h2-4H,1,8H2,(H,9,10)(H,11,12)/t2-,3-,4+,7-/m0/s1

InChIKey:

YASVRZWVUGJELU-NIMDSCNUSA-N

SMILES:

Software	SMILES
CACTVS 3.385	N[C]1(CO[CH]2[CH]([CH]12)C(O)=O)C(O)=O
CACTVS 3.385	N[C@]1(CO[C@@H]2[C@H]([C@H]12)C(O)=O)C(O)=O
ACDLabs 12.01	OC(=O)C1(N)COC2C(C21)C(=O)O
OpenEye OEToolkits 2.0.7	C1C(C2C(C2O1)C(=O)O)(C(=O)O)N
OpenEye OEToolkits 2.0.7	C1[C@]([C@H]2[C@@H]([C@H]2O1)C(=O)O)(C(=O)O)N

Name:

(1S,4R,5R,6S)-4-amino-2-oxabicyclo[3.1.0]hexane-4,6-dicarboxylic acid

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).