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BioLiP

PDB CCD ID: EPM
Number of entries in BioLiP: 2
Chemical formula: C21 H41 N O3 S
InChI: InChI=1S/C21H41NO3S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20(23)22-19(21(24)25)17-18-26-2/h19H,3-18H2,1-2H3,(H,22,23)(H,24,25)/t19-/m0/s1
InChIKey: FCVASHHBGGKTGT-IBGZPJMESA-N
SMILES:
SoftwareSMILES
CACTVS 3.341CCCCCCCCCCCCCCCC(=O)N[CH](CCSC)C(O)=O
OpenEye OEToolkits 1.5.0CCCCCCCCCCCCCCCC(=O)NC(CCSC)C(=O)O
OpenEye OEToolkits 1.5.0CCCCCCCCCCCCCCCC(=O)N[C@@H](CCSC)C(=O)O
ACDLabs 10.04O=C(NC(C(=O)O)CCSC)CCCCCCCCCCCCCCC
CACTVS 3.341CCCCCCCCCCCCCCCC(=O)N[C@@H](CCSC)C(O)=O
Name:N-PALMITOYL-L-METHIONINE
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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