SEQ2FUN

BioLiP

PDB CCD ID: VF0
Number of entries in BioLiP: 1
Chemical formula: C20 H38 N O9 P
InChI: InChI=1S/C20H38NO9P/c1-2-3-4-5-6-7-8-9-10-11-12-13-19(23)28-14-17(22)15-29-31(26,27)30-16-18(21)20(24)25/h5-6,17-18,22H,2-4,7-16,21H2,1H3,(H,24,25)(H,26,27)/t17-,18-/m1/s1
InChIKey: NPKANCOBLRPFQN-QZTJIDSGSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7CCCCC=CCCCCCCCC(=O)OC[C@H](COP(=O)(O)OC[C@H](C(=O)O)N)O
CACTVS 3.385CCCCC=CCCCCCCCC(=O)OC[CH](O)CO[P](O)(=O)OC[CH](N)C(O)=O
CACTVS 3.385CCCC\C=C/CCCCCCCC(=O)OC[C@@H](O)CO[P](O)(=O)OC[C@@H](N)C(O)=O
OpenEye OEToolkits 2.0.7CCCCC=CCCCCCCCC(=O)OCC(COP(=O)(O)OCC(C(=O)O)N)O
Name:(2R)-2-azanyl-3-[oxidanyl-[(2R)-2-oxidanyl-3-tetradec-9-enoyloxy-propoxy]phosphoryl]oxy-propanoic acid
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).