BioLiP

PDB

BioLiP

PDB CCD ID:

JMH

Number of entries in BioLiP:

Chemical formula:

C10 H16 N3 O8 P

InChI:

InChI=1S/C10H16N3O8P/c1-12-6(11)2-3-13(10(12)16)9-8(15)7(14)5(21-9)4-20-22(17,18)19/h2-3,5,7-9,11,14-15H,4H2,1H3,(H2,17,18,19)/b11-6-/t5-,7-,8-,9-/m1/s1

InChIKey:

ZEGVEFNYAXGPPR-MJSKEWNISA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	CN1C(=N)C=CN(C1=O)C2C(C(C(O2)COP(=O)(O)O)O)O
OpenEye OEToolkits 2.0.7	[H]/N=C\1/C=CN(C(=O)N1C)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O
CACTVS 3.385	CN1C(=N)C=CN([C@@H]2O[C@H](CO[P](O)(O)=O)[C@@H](O)[C@H]2O)C1=O
CACTVS 3.385	CN1C(=N)C=CN([CH]2O[CH](CO[P](O)(O)=O)[CH](O)[CH]2O)C1=O

Name:

3-Methylcytidine- 5'-monophosphate

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).