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BioLiP

PDB CCD ID: KOR
Number of entries in BioLiP: 0
Chemical formula: C7 H15 N3 O5 S2
InChI: InChI=1S/C7H15N3O5S2/c8-4(6(11)12)1-2-16-10-17(15)3-5(9)7(13)14/h4-5,10H,1-3,8-9H2,(H,11,12)(H,13,14)/t4-,5-,17+/m0/s1
InChIKey: XTMCQXZWONKOFP-QJBRIOCBSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0C(CSN[S@](=O)C[C@@H](C(=O)O)N)[C@@H](C(=O)O)N
CACTVS 3.341N[CH](CCSN[S](=O)C[CH](N)C(O)=O)C(O)=O
OpenEye OEToolkits 1.5.0C(CSNS(=O)CC(C(=O)O)N)C(C(=O)O)N
CACTVS 3.341N[C@@H](CCSN[S@](=O)C[C@H](N)C(O)=O)C(O)=O
ACDLabs 10.04O=S(NSCCC(N)C(=O)O)CC(C(=O)O)N
Name:L-HOMOCYSTEINE-S-N-S-L-CYSTEINE;
N-THIOSULFOXIMIDE
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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