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BioLiP

PDB CCD ID: 1Y4
Number of entries in BioLiP: 0
Chemical formula: C8 H14 N2 O2
InChI: InChI=1S/C8H14N2O2/c11-8(12)7-5-10-3-1-2-6(10)4-9-7/h6-7,9H,1-5H2,(H,11,12)/t6-,7+/m1/s1
InChIKey: VDGQKDZKZYPHSX-RQJHMYQMSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.6C1C[C@@H]2CN[C@@H](CN2C1)C(=O)O
ACDLabs 12.01O=C(O)C2NCC1N(CCC1)C2
OpenEye OEToolkits 1.7.6C1CC2CNC(CN2C1)C(=O)O
CACTVS 3.385OC(=O)[CH]1CN2CCC[CH]2CN1
CACTVS 3.385OC(=O)[C@@H]1CN2CCC[C@@H]2CN1
Name:(3S,8aR)-octahydropyrrolo[1,2-a]pyrazine-3-carboxylic 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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