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BioLiP

PDB CCD ID: QIL
Number of entries in BioLiP: 0
Chemical formula: C7 H13 N O3
InChI: InChI=1S/C7H13NO3/c1-3-5(2)6(7(10)11)8-4-9/h4-6H,3H2,1-2H3,(H,8,9)(H,10,11)/t5-,6-/m0/s1
InChIKey: IONXXIKCTQHZNC-WDSKDSINSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.2CCC(C)C(C(=O)O)NC=O
ACDLabs 12.01O=CNC(C(=O)O)C(CC)C
OpenEye OEToolkits 1.7.2CC[C@H](C)[C@@H](C(=O)O)NC=O
CACTVS 3.370CC[CH](C)[CH](NC=O)C(O)=O
CACTVS 3.370CC[C@H](C)[C@H](NC=O)C(O)=O
Name:N-formyl-L-isoleucine
ZINC: ZINC000001576287
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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