SEQ2FUN

BioLiP

PDB CCD ID: RSQ
Number of entries in BioLiP: 0
Chemical formula: C10 H14 N3 O9 P
InChI: InChI=1S/C10H14N3O9P/c11-8-4(2-14)1-13(10(17)12-8)9-7(16)6(15)5(22-9)3-21-23(18,19)20/h1-2,5-7,9,15-16H,3H2,(H2,11,12,17)(H2,18,19,20)/t5-,6-,7-,9-/m1/s1
InChIKey: ANRZHYHASGTOLD-JXOAFFINSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.6C1=C(C(=NC(=O)N1C2C(C(C(O2)COP(=O)(O)O)O)O)N)C=O
OpenEye OEToolkits 1.7.6C1=C(C(=NC(=O)N1[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)N)C=O
CACTVS 3.385NC1=NC(=O)N(C=C1C=O)[CH]2O[CH](CO[P](O)(O)=O)[CH](O)[CH]2O
CACTVS 3.385NC1=NC(=O)N(C=C1C=O)[C@@H]2O[C@H](CO[P](O)(O)=O)[C@@H](O)[C@H]2O
ACDLabs 12.01P(O)(O)(OCC2C(C(C(N1C(N=C(N)C(C=O)=C1)=O)O2)O)O)=O
Name:5-formylcytidine 5'-(dihydrogen phosphate)
ZINC: ZINC000058638405

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).