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BioLiP

PDB CCD ID: L2C
Number of entries in BioLiP: 0
Chemical formula: C24 H46 O5
InChI: InChI=1S/C24H46O5/c1-3-5-7-9-11-12-13-15-16-18-23(26)28-21-22(20-25)29-24(27)19-17-14-10-8-6-4-2/h22,25H,3-21H2,1-2H3/t22-/m0/s1
InChIKey: MYFVXYUACRBWGD-QFIPXVFZSA-N
SMILES:
SoftwareSMILES
CACTVS 3.341CCCCCCCCCCCC(=O)OC[CH](CO)OC(=O)CCCCCCCC
OpenEye OEToolkits 1.5.0CCCCCCCCCCCC(=O)OCC(CO)OC(=O)CCCCCCCC
ACDLabs 10.04O=C(OC(COC(=O)CCCCCCCCCCC)CO)CCCCCCCC
CACTVS 3.341
OpenEye OEToolkits 1.5.0		CCCCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCCCC
Name:(2S)-3-HYDROXY-2-(NONANOYLOXY)PROPYL LAURATE
ZINC: ZINC000058638724
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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