BioLiP

PDB

BioLiP

PDB CCD ID:

ASC

Number of entries in BioLiP:

Chemical formula:

C6 H8 O6

InChI:

InChI=1S/C6H8O6/c7-1-2(8)5-3(9)4(10)6(11)12-5/h2,5,7-10H,1H2/t2-,5+/m0/s1

InChIKey:

CIWBSHSKHKDKBQ-JLAZNSOCSA-N

SMILES:

Software	SMILES
CACTVS 3.341	OC[CH](O)[CH]1OC(=O)C(=C1O)O
OpenEye OEToolkits 1.5.0	C(C(C1C(=C(C(=O)O1)O)O)O)O
OpenEye OEToolkits 1.5.0	C([C@@H]([C@@H]1C(=C(C(=O)O1)O)O)O)O
CACTVS 3.341	OC[C@H](O)[C@H]1OC(=O)C(=C1O)O
ACDLabs 10.04	O=C1OC(C(O)=C1O)C(O)CO

Name:

ASCORBIC ACID;
Vitamin C

ChEMBL:

CHEMBL196

DrugBank:

DB00126

ZINC:

ZINC000100006770

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).