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BioLiP Library

PDB CCD ID: ZGV
Number of entries in BioLiP: 28
Chemical formula: C18 H22 N2 O5
InChI: InChI=1S/C18H22N2O5/c1-3-15(21)6-4-5-13(2)7-9-16(22)19-17(23)10-8-14-11-12-20(14)18(24)25/h4-11,15,21H,3,12H2,1-2H3,(H,24,25)(H,19,22,23)/b6-4+,9-7+,10-8+,13-5+/t15-/m0/s1
InChIKey: SEMHODIMVPKJPJ-ATTYUXRXSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7CC[C@@H](/C=C/C=C(\C)/C=C/C(=O)NC(=O)/C=C/C1=CCN1C(=O)O)O
CACTVS 3.385CC[CH](O)C=CC=C(C)C=CC(=O)NC(=O)C=CC1=CCN1C(O)=O
ACDLabs 12.01OC(=O)N1CC=C1/C=C/C(=O)NC(=O)/C=CC(\C)=C\C=C\C(O)CC
CACTVS 3.385CC[C@H](O)\C=C\C=C(C)\C=C\C(=O)NC(=O)\C=C\C1=CCN1C(O)=O
OpenEye OEToolkits 2.0.7CCC(C=CC=C(C)C=CC(=O)NC(=O)C=CC1=CCN1C(=O)O)O
Name:4-[(1E)-3-{[(2E,4E,6E,8S)-8-hydroxy-4-methyldeca-2,4,6-trienoyl]amino}-3-oxoprop-1-en-1-yl]azete-1(2H)-carboxylic 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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