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BioLiP

PDB CCD ID: E2V
Number of entries in BioLiP: 0
Chemical formula: C38 H74 O4
InChI: InChI=1S/C38H74O4/c1-4-6-8-10-12-14-16-18-19-20-22-23-25-27-29-31-33-37(39)41-35-36(3)42-38(40)34-32-30-28-26-24-21-17-15-13-11-9-7-5-2/h36H,4-35H2,1-3H3/t36-/m1/s1
InChIKey: AZEJVFRTMDKJQJ-PSXMRANNSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01C(CCCCCCCCC(=O)OCC(OC(CCCCCCCCCCCCCCC)=O)C)CCCCCCCCC
CACTVS 3.385
OpenEye OEToolkits 2.0.6		CCCCCCCCCCCCCCCCCCC(=O)OC[C@@H](C)OC(=O)CCCCCCCCCCCCCCC
CACTVS 3.385CCCCCCCCCCCCCCCCCCC(=O)OC[CH](C)OC(=O)CCCCCCCCCCCCCCC
OpenEye OEToolkits 2.0.6CCCCCCCCCCCCCCCCCCC(=O)OCC(C)OC(=O)CCCCCCCCCCCCCCC
Name:(2R)-2-(hexadecanoyloxy)propyl nonadecanoate
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).
  • 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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