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BioLiP

PDB CCD ID: MUN
Number of entries in BioLiP: 15
Chemical formula: C14 H26 O4
InChI: InChI=1S/C14H26O4/c1-2-3-4-5-6-7-8-9-10-14(17)18-12-13(16)11-15/h9-10,13,15-16H,2-8,11-12H2,1H3/b10-9+/t13-/m0/s1
InChIKey: INMIULFREHIAOX-LXKVQUBZSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.6CCCCCCCCC=CC(=O)OCC(CO)O
OpenEye OEToolkits 2.0.6CCCCCCCC/C=C/C(=O)OC[C@H](CO)O
CACTVS 3.385CCCCCCCCC=CC(=O)OC[CH](O)CO
CACTVS 3.385CCCCCCCC/C=C/C(=O)OC[C@@H](O)CO
Name:[(2~{S})-2,3-bis(oxidanyl)propyl] (~{E})-undec-2-enoate;
MONOUNDECENOIN
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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