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BioLiP

PDB CCD ID: FAW
Number of entries in BioLiP: 2
Chemical formula: C31 H60 O5
InChI: InChI=1S/C31H60O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-30(33)35-28-29(27-32)36-31(34)26-24-22-20-18-16-14-12-10-8-6-4-2/h29,32H,3-28H2,1-2H3/t29-/m0/s1
InChIKey: JFBCSFJKETUREV-LJAQVGFWSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385CCCCCCCCCCCCCC(=O)OC[CH](CO)OC(=O)CCCCCCCCCCCCC
ACDLabs 12.01O=C(OCC(CO)OC(=O)CCCCCCCCCCCCC)CCCCCCCCCCCCC
CACTVS 3.385
OpenEye OEToolkits 1.9.2		CCCCCCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCCCCCCCCC
OpenEye OEToolkits 1.9.2CCCCCCCCCCCCCC(=O)OCC(CO)OC(=O)CCCCCCCCCCCCC
Name:(2S)-3-hydroxypropane-1,2-diyl ditetradecanoate
ZINC: ZINC000030731360
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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