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BioLiP

PDB CCD ID: YHA
Number of entries in BioLiP: 0
Chemical formula: C7 H15 N3 O3
InChI: InChI=1S/C7H15N3O3/c8-5(6(11)12)3-1-2-4-10-7(9)13/h5H,1-4,8H2,(H,11,12)(H3,9,10,13)/t5-/m0/s1
InChIKey: XIGSAGMEBXLVJJ-YFKPBYRVSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7C(CCNC(=O)N)CC(C(=O)O)N
OpenEye OEToolkits 2.0.7C(CCNC(=O)N)C[C@@H](C(=O)O)N
CACTVS 3.385N[C@@H](CCCCNC(N)=O)C(O)=O
CACTVS 3.385N[CH](CCCCNC(N)=O)C(O)=O
ACDLabs 12.01NC(CCCCNC(N)=O)C(=O)O
Name:Homocitrulline;
N~6~-carbamoyl-L-lysine
ZINC: ZINC000001529431
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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