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BioLiP Library

PDB CCD ID: 96H
Number of entries in BioLiP: 1
Chemical formula: C9 H21 N O3
InChI: InChI=1S/C9H21NO3/c1-7(11)4-10(5-8(2)12)6-9(3)13/h7-9,11-13H,4-6H2,1-3H3/t7-,8-,9-/m0/s1
InChIKey: SLINHMUFWFWBMU-CIUDSAMLSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.6CC(CN(CC(C)O)CC(C)O)O
OpenEye OEToolkits 2.0.6C[C@@H](CN(C[C@H](C)O)C[C@H](C)O)O
CACTVS 3.385C[C@H](O)CN(C[C@H](C)O)C[C@H](C)O
CACTVS 3.385C[CH](O)CN(C[CH](C)O)C[CH](C)O
Name:Triisopropanolamine
ZINC: ZINC000100649866
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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