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BioLiP

PDB CCD ID: VPV
Number of entries in BioLiP: 0
Chemical formula: C13 H22 N2 O7
InChI: InChI=1S/C13H22N2O7/c14-9(12(19)20)3-1-2-6-15-10(13(21)22)7-8(16)4-5-11(17)18/h8-9,16H,1-7,14H2,(H,17,18)(H,19,20)(H,21,22)/b15-10+/t8-,9+/m1/s1
InChIKey: SZZIBLQGBUJBOW-SFBSIPHCSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01C(=O)(O)C(N)CCCC/N=C(/C(O)=O)CC(CCC(=O)O)O
OpenEye OEToolkits 2.0.7C(CC/N=C(\C[C@@H](CCC(=O)O)O)/C(=O)O)C[C@@H](C(=O)O)N
OpenEye OEToolkits 2.0.7C(CCN=C(CC(CCC(=O)O)O)C(=O)O)CC(C(=O)O)N
CACTVS 3.385N[C@@H](CCCCN=C(C[C@H](O)CCC(O)=O)C(O)=O)C(O)=O
CACTVS 3.385N[CH](CCCCN=C(C[CH](O)CCC(O)=O)C(O)=O)C(O)=O
Name:(2E,4R)-2-{[(5S)-5-amino-5-carboxypentyl]imino}-4-hydroxyheptanedioic 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)(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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