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BioLiP Library

PDB CCD ID: AFC
Number of entries in BioLiP: 0
Chemical formula: C15 H31 N O2
InChI: InChI=1S/C15H31NO2/c1-3-13(2)10-8-6-4-5-7-9-11-14(16)12-15(17)18/h13-14H,3-12,16H2,1-2H3,(H,17,18)/t13-,14-/m1/s1
InChIKey: HBVNJKJYXNNKPM-ZIAGYGMSSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.0CCC(C)CCCCCCCCC(CC(=O)O)N
ACDLabs 12.01O=C(O)CC(N)CCCCCCCCC(C)CC
OpenEye OEToolkits 1.7.0CC[C@@H](C)CCCCCCCC[C@H](CC(=O)O)N
CACTVS 3.370CC[CH](C)CCCCCCCC[CH](N)CC(O)=O
CACTVS 3.370CC[C@@H](C)CCCCCCCC[C@@H](N)CC(O)=O
Name:(3R,12R)-3-amino-12-methyltetradecanoic acid
ZINC: ZINC000098208647
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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