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BioLiP Library

PDB CCD ID: 4C7
Number of entries in BioLiP: 1
Chemical formula: C15 H34 O7 P2
InChI: InChI=1S/C15H34O7P2/c1-13(2)7-5-8-14(3)9-6-10-15(4)11-12-21-24(19,20)22-23(16,17)18/h13-15H,5-12H2,1-4H3,(H,19,20)(H2,16,17,18)/t14-,15+/m0/s1
InChIKey: QLJFEPYMTKDKMH-LSDHHAIUSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.9.2C[C@H](CCC[C@@H](C)CCOP(=O)(O)OP(=O)(O)O)CCCC(C)C
OpenEye OEToolkits 1.9.2CC(C)CCCC(C)CCCC(C)CCOP(=O)(O)OP(=O)(O)O
CACTVS 3.385CC(C)CCC[C@H](C)CCC[C@@H](C)CCO[P](O)(=O)O[P](O)(O)=O
CACTVS 3.385CC(C)CCC[CH](C)CCC[CH](C)CCO[P](O)(=O)O[P](O)(O)=O
ACDLabs 12.01C(CC(CCCC(C)CCCC(C)C)C)OP(OP(O)(O)=O)(O)=O
Name:(3R,7S)-3,7,11-trimethyldodecyl trihydrogen diphosphate
ZINC: ZINC000031977015
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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