SEQ2FUN

BioLiP

PDB CCD ID: MMX
Number of entries in BioLiP: 0
Chemical formula: C11 H22 N3 O8 P
InChI: InChI=1S/C11H22N3O8P/c1-2-13-7(12)3-4-14(11(13)17)10-9(16)8(15)6(22-10)5-21-23(18,19)20/h6-10,15-16H,2-5,12H2,1H3,(H2,18,19,20)/t6-,7+,8-,9-,10-/m1/s1
InChIKey: YFXIRUNUMADJET-JDDHQFAOSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7CCN1C(CCN(C1=O)C2C(C(C(O2)COP(=O)(O)O)O)O)N
CACTVS 3.385CCN1[C@H](N)CCN([C@@H]2O[C@H](CO[P](O)(O)=O)[C@@H](O)[C@H]2O)C1=O
ACDLabs 12.01O=P(O)(O)OCC1OC(N2CCC(N)N(CC)C2=O)C(O)C1O
CACTVS 3.385CCN1[CH](N)CCN([CH]2O[CH](CO[P](O)(O)=O)[CH](O)[CH]2O)C1=O
OpenEye OEToolkits 2.0.7CCN1[C@@H](CCN(C1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)N
Name:3-ethyl-3,4,5,6-tetrahydrocytidine 5'-(dihydrogen phosphate)
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).