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BioLiP

PDB CCD ID: IZU
Number of entries in BioLiP: 1
Chemical formula: C32 H57 O8 P
InChI: InChI=1S/C32H57O8P/c1-23(2)11-7-12-24(3)13-8-14-25(4)15-9-16-26(5)17-10-18-27(6)19-20-39-41(37,38)22-29-31(35)32(36)30(34)28(21-33)40-29/h11,13,15,17,27-36H,7-10,12,14,16,18-22H2,1-6H3,(H,37,38)/b24-13+,25-15-,26-17+/t27-,28+,29-,30+,31+,32-/m0/s1
InChIKey: MNRXJRFNBXECBJ-QWFISOLMSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7CC(CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)C)CCOP(=O)(CC1C(C(C(C(O1)CO)O)O)O)O
OpenEye OEToolkits 2.0.7C[C@@H](CC/C=C(\C)/CC/C=C(/C)\CC/C=C(\C)/CCC=C(C)C)CCOP(=O)(C[C@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)O
CACTVS 3.385C[C@H](CCO[P](O)(=O)C[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O)CC/C=C(C)/CC/C=C(/C)CC/C=C(C)/CCC=C(C)C
CACTVS 3.385C[CH](CCO[P](O)(=O)C[CH]1O[CH](CO)[CH](O)[CH](O)[CH]1O)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)C
Name:[(2~{R},3~{S},4~{S},5~{S},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]methyl-[(3~{S},6~{E},10~{Z},14~{E})-3,7,11,15,19-pentamethylicosa-6,10,14,18-tetraenoxy]phosphinic 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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