BioLiP

PDB

BioLiP

PDB CCD ID:

A5M

Number of entries in BioLiP:

Chemical formula:

C9 H15 N4 O7 P

InChI:

InChI=1S/C9H15N4O7P/c10-5-1-2-13(9(15)12-5)8-6(11)7(14)4(20-8)3-19-21(16,17)18/h1-2,4,6-8,14H,3,11H2,(H2,10,12,15)(H2,16,17,18)/t4-,6-,7?,8-/m1/s1

InChIKey:

HGDDYYFPFZSUMP-WDGWZIQESA-N

SMILES:

Software	SMILES
ACDLabs 10.04	O=C1N=C(N)C=CN1C2OC(C(O)C2N)COP(=O)(O)O
CACTVS 3.341	N[C@@H]1[C@H](O)[C@@H](CO[P](O)(O)=O)O[C@H]1N2C=CC(=NC2=O)N
OpenEye OEToolkits 1.5.0	C1=CN(C(=O)N=C1N)C2C(C(C(O2)COP(=O)(O)O)O)N
OpenEye OEToolkits 1.5.0	C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)N
CACTVS 3.341	N[CH]1[CH](O)[CH](CO[P](O)(O)=O)O[CH]1N2C=CC(=NC2=O)N

Name:

2'-AMINE-CYTIDINE-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).