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BioLiP Library

PDB CCD ID: 84Q
Number of entries in BioLiP: 4
Chemical formula: C34 H68 N O8 P
InChI: InChI=1S/C34H68NO8P/c1-30(2)23-19-15-11-7-5-9-13-17-21-25-32(36)40-29-34(43-44(38,39)41-28-27-35)42-33(37)26-22-18-14-10-6-8-12-16-20-24-31(3)4/h30-31,34H,5-29,35H2,1-4H3,(H,38,39)/t34-/m0/s1
InChIKey: TWGQVFCVUIINRS-UMSFTDKQSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385CC(C)CCCCCCCCCCCC(=O)OC[C@@H](OC(=O)CCCCCCCCCCCC(C)C)O[P](O)(=O)OCCN
CACTVS 3.385CC(C)CCCCCCCCCCCC(=O)OC[CH](OC(=O)CCCCCCCCCCCC(C)C)O[P](O)(=O)OCCN
OpenEye OEToolkits 2.0.7CC(C)CCCCCCCCCCCC(=O)OC[C@@H](OC(=O)CCCCCCCCCCCC(C)C)OP(=O)(O)OCCN
OpenEye OEToolkits 2.0.7CC(C)CCCCCCCCCCCC(=O)OCC(OC(=O)CCCCCCCCCCCC(C)C)OP(=O)(O)OCCN
Name:[(2S)-2-[2-azanylethoxy(oxidanyl)phosphoryl]oxy-2-(13-methyltetradecanoyloxy)ethyl] 13-methyltetradecanoate;
1,2-dimyristoyl-sn-glycero-3-phosphoethanolamine
Reference:
  • Chengxin Zhang, Xi Zhang, Peter L Freddolino, and Yang Zhang. BioLiP2: an updated structure database for biologically relevent ligand-protein interactions, Nucleic Acids Research, gkad630 (2023)(download the PDF file).
  • 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).

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