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BioLiP

PDB CCD ID: O18
Number of entries in BioLiP: 1
Chemical formula: C19 H35 N O4
InChI: InChI=1S/C19H35NO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(21)24-16-17(20)19(22)23/h7-8,17H,2-6,9-16,20H2,1H3,(H,22,23)/b8-7-/t17-/m0/s1
InChIKey: BEQLUQLZPXGDLC-QWPQOLDESA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7CCCCCC/C=C\CCCCCCCC(=O)OC[C@@H](C(=O)O)N
CACTVS 3.385CCCCCC\C=C/CCCCCCCC(=O)OC[C@H](N)C(O)=O
OpenEye OEToolkits 2.0.7CCCCCCC=CCCCCCCCC(=O)OCC(C(=O)O)N
CACTVS 3.385CCCCCCC=CCCCCCCCC(=O)OC[CH](N)C(O)=O
Name:O-palmitoleoyl serine;
(2S)-2-azanyl-3-[(Z)-hexadec-9-enoyl]oxy-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).
  • 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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