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BioLiP

PDB CCD ID: P0M
Number of entries in BioLiP: 2
Chemical formula: C12 H11 N O5
InChI: InChI=1S/C12H11NO5/c13-9(12(16)17)3-6-4-11(15)18-10-5-7(14)1-2-8(6)10/h1-2,4-5,9,14H,3,13H2,(H,16,17)/t9-/m0/s1
InChIKey: UURZOUPNUFWGBS-VIFPVBQESA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 3.1.0.0c1cc2c(cc1O)OC(=O)C=C2CC(C(=O)O)N
OpenEye OEToolkits 3.1.0.0c1cc2c(cc1O)OC(=O)C=C2C[C@@H](C(=O)O)N
CACTVS 3.385N[CH](CC1=CC(=O)Oc2cc(O)ccc12)C(O)=O
CACTVS 3.385N[C@@H](CC1=CC(=O)Oc2cc(O)ccc12)C(O)=O
Name:(2~{S})-2-azanyl-3-(7-oxidanyl-2-oxidanylidene-chromen-4-yl)propanoic 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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