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BioLiP

PDB CCD ID: NER
Number of entries in BioLiP: 0
Chemical formula: C24 H46 O2
InChI: InChI=1S/C24H46O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24(25)26/h9-10H,2-8,11-23H2,1H3,(H,25,26)/b10-9-
InChIKey: GWHCXVQVJPWHRF-KTKRTIGZSA-N
SMILES:
SoftwareSMILES
CACTVS 3.341CCCCCCCC\C=C/CCCCCCCCCCCCCC(O)=O
OpenEye OEToolkits 1.5.0CCCCCCCCC=CCCCCCCCCCCCCCC(=O)O
OpenEye OEToolkits 1.5.0CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)O
CACTVS 3.341CCCCCCCCC=CCCCCCCCCCCCCCC(O)=O
ACDLabs 10.04O=C(O)CCCCCCCCCCCCC\C=C/CCCCCCCC
Name:(15E)-TETRACOS-15-ENOIC ACID;
CIS-15-TETRACOSENOIC ACID
ChEMBL: CHEMBL1173379
ZINC: ZINC000006920440
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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