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BioLiP Library

PDB CCD ID: ASB
Number of entries in BioLiP: 0
Chemical formula: C6 H9 N O6
InChI: InChI=1S/C6H9NO6/c7-3(6(11)12)1-5(10)13-2-4(8)9/h3H,1-2,7H2,(H,8,9)(H,11,12)/t3-/m0/s1
InChIKey: VYJCBTPDYBSANG-VKHMYHEASA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0C([C@@H](C(=O)O)N)C(=O)OCC(=O)O
CACTVS 3.341N[CH](CC(=O)OCC(O)=O)C(O)=O
OpenEye OEToolkits 1.5.0C(C(C(=O)O)N)C(=O)OCC(=O)O
CACTVS 3.341N[C@@H](CC(=O)OCC(O)=O)C(O)=O
ACDLabs 10.04O=C(OCC(=O)O)CC(C(=O)O)N
Name:ASPARTIC ACID-4-CARBOXYMETHYL ESTER
DrugBank: DB03522
ZINC: ZINC000006360489
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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