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BioLiP

PDB CCD ID: E7Y
Number of entries in BioLiP: 2
Chemical formula: C22 H37 N O2
InChI: InChI=1S/C22H37NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(25)23-20-21-24/h6-7,9-10,12-13,15-16,24H,2-5,8,11,14,17-21H2,1H3,(H,23,25)/b7-6-,10-9-,13-12-,16-15-
InChIKey: LGEQQWMQCRIYKG-DOFZRALJSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.6CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)NCCO
CACTVS 3.385CCCCC\C=C/C/C=C\C\C=C/C\C=C/CCCC(=O)NCCO
ACDLabs 12.01C(=O)(NCCO)CCC[C@H]=CC\C=C/C[C@H]=CC[C@H]=CCCCCC
CACTVS 3.385
OpenEye OEToolkits 2.0.6		CCCCCC=CCC=CCC=CCC=CCCCC(=O)NCCO
Name:(5Z,8Z,11Z,14Z)-N-(2-hydroxyethyl)icosa-5,8,11,14-tetraenamide;
N-arachidonoylethanolamine
ChEMBL: CHEMBL15848
ZINC: ZINC000003809850
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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