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BioLiP

PDB CCD ID: 6L9
Number of entries in BioLiP: 0
Chemical formula: C6 H10 N2 O5
InChI: InChI=1S/C6H10N2O5/c7-3(4(8)9)1-2(5(10)11)6(12)13/h2-3H,1,7H2,(H2,8,9)(H,10,11)(H,12,13)/t3-/m0/s1
InChIKey: ICRLJHQFURIQJP-VKHMYHEASA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.4C([C@@H](C(=O)N)N)C(C(=O)O)C(=O)O
OpenEye OEToolkits 2.0.4C(C(C(=O)O)C(=O)O)C(C(=O)N)N
ACDLabs 12.01OC(C(C(=O)O)CC(C(=O)N)N)=O
CACTVS 3.385N[CH](CC(C(O)=O)C(O)=O)C(N)=O
CACTVS 3.385N[C@@H](CC(C(O)=O)C(O)=O)C(N)=O
Name:[(2S)-2,3-diamino-3-oxopropyl]propanedioic 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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