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BioLiP

PDB CCD ID: CYK
Number of entries in BioLiP: 1
Chemical formula: C10 H19 N O3 S
InChI: InChI=1S/C10H19NO3S/c1-2-3-4-5-9(12)11-8(6-7-15)10(13)14/h8,15H,2-7H2,1H3,(H,11,12)(H,13,14)/t8-/m0/s1
InChIKey: HAUWXQBEWNVHPD-QMMMGPOBSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0CCCCCC(=O)NC(CCS)C(=O)O
ACDLabs 10.04O=C(O)C(NC(=O)CCCCC)CCS
CACTVS 3.341CCCCCC(=O)N[C@@H](CCS)C(O)=O
CACTVS 3.341CCCCCC(=O)N[CH](CCS)C(O)=O
OpenEye OEToolkits 1.5.0CCCCCC(=O)N[C@@H](CCS)C(=O)O
Name:N-hexanoyl-L-homocysteine
DrugBank: DB07603
ZINC: ZINC000053683103
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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