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BioLiP

PDB CCD ID: U2M
Number of entries in BioLiP: 0
Chemical formula: C7 H15 N O2 S
InChI: InChI=1S/C7H15NO2S/c8-6(7(9)10)4-2-1-3-5-11/h6,11H,1-5,8H2,(H,9,10)/t6-/m0/s1
InChIKey: QICNSJMVLZSQPX-LURJTMIESA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01NC(C(O)=O)CCCCCS
OpenEye OEToolkits 2.0.7C(CCC(C(=O)O)N)CCS
CACTVS 3.385N[CH](CCCCCS)C(O)=O
OpenEye OEToolkits 2.0.7C(CC[C@@H](C(=O)O)N)CCS
CACTVS 3.385N[C@@H](CCCCCS)C(O)=O
Name:(2S)-2-amino-7-sulfanylheptanoic acid
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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