SEQ2FUN

BioLiP

PDB CCD ID: J3S
Number of entries in BioLiP: 11
Chemical formula: C8 H17 N O S2
InChI: InChI=1S/C8H17NOS2/c9-8(10)4-2-1-3-7(12)5-6-11/h7,11-12H,1-6H2,(H2,9,10)/t7-/m0/s1
InChIKey: VLYUGYAKYZETRF-ZETCQYMHSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385NC(=O)CCCC[CH](S)CCS
CACTVS 3.385NC(=O)CCCC[C@H](S)CCS
OpenEye OEToolkits 2.0.6C(CCC(=O)N)C[C@@H](CCS)S
OpenEye OEToolkits 2.0.6C(CCC(=O)N)CC(CCS)S
ACDLabs 12.01C(CCCCC(CCS)S)(N)=O
Name:(6S)-6,8-disulfanyloctanamide
ZINC: ZINC000003869862
Reference:
  • Chengxin Zhang, Xi Zhang, Lydia 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).