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BioLiP

PDB CCD ID: 1X6
Number of entries in BioLiP: 0
Chemical formula: C6 H10 N2 O4
InChI: InChI=1S/C6H10N2O4/c7-2-1-5(9)12-3-4(8)6(10)11/h1-2,4H,3,7-8H2,(H,10,11)/b2-1+/t4-/m0/s1
InChIKey: XNIFBFLYOMFDJD-QPHDTYRISA-N
SMILES:
SoftwareSMILES
CACTVS 3.370NC=CC(=O)OC[CH](N)C(O)=O
CACTVS 3.370N/C=C/C(=O)OC[C@H](N)C(O)=O
OpenEye OEToolkits 1.7.2C(C(C(=O)O)N)OC(=O)C=CN
OpenEye OEToolkits 1.7.2C([C@@H](C(=O)O)N)OC(=O)/C=C/N
ACDLabs 12.01O=C(OCC(C(=O)O)N)\C=C\N
Name:O-[(2E)-3-AMINOPROP-2-ENOYL]-L-SERINE
ZINC: ZINC000098208047
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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