SEQ2FUN

BioLiP

PDB CCD ID: M3O
Number of entries in BioLiP: 0
Chemical formula: C16 H23 N6 O9 P S
InChI: InChI=1S/C16H23N6O9PS/c1-33-3-2-8(21-7-23)16(25)31-12-9(4-29-32(26,27)28)30-15(11(12)24)22-6-20-10-13(17)18-5-19-14(10)22/h5-9,11-12,15,24H,2-4H2,1H3,(H,21,23)(H2,17,18,19)(H2,26,27,28)/t8-,9+,11+,12+,15+/m0/s1
InChIKey: NXOGAYJSSKEKJM-OPYVMVOTSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385CSCC[C@H](NC=O)C(=O)O[C@H]1[C@@H](O)[C@@H](O[C@@H]1CO[P](O)(O)=O)n2cnc3c(N)ncnc23
ACDLabs 12.01P(OCC1C(C(C(O1)n2cnc3c(N)ncnc23)O)OC(=O)C(CCSC)NC=O)(O)(=O)O
OpenEye OEToolkits 1.9.2CSCCC(C(=O)OC1C(OC(C1O)n2cnc3c2ncnc3N)COP(=O)(O)O)NC=O
OpenEye OEToolkits 1.9.2CSCC[C@@H](C(=O)O[C@@H]1[C@H](O[C@H]([C@@H]1O)n2cnc3c2ncnc3N)COP(=O)(O)O)NC=O
CACTVS 3.385CSCC[CH](NC=O)C(=O)O[CH]1[CH](O)[CH](O[CH]1CO[P](O)(O)=O)n2cnc3c(N)ncnc23
Name:3'-O-(N-formyl-L-methionyl)adenosine 5'-(dihydrogen phosphate)
ZINC: ZINC000263620818
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).