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BioLiP

PDB CCD ID: OPC
Number of entries in BioLiP: 0
Chemical formula: C45 H87 N O8 P
InChI: InChI=1S/C45H86NO8P/c1-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-43(47)51-41-45(3,42-53-55(49,50)52-40-39-46(4,5)6)54-44(48)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-2/h23-26H,7-22,27-42H2,1-6H3/p+1/b25-23-,26-24+/t45-/m1/s1
InChIKey: CTQFGTDUPDRLRZ-CNMUNUSJSA-O
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0CCCCCCCCCC=CCCCCCCC(=O)OCC(C)(COP(=O)(O)OCC[N+](C)(C)C)OC(=O)CCCCCCC=CCCCCCCCCC
OpenEye OEToolkits 1.5.0CCCCCCCCC\C=C/CCCCCCC(=O)OC[C@](C)(CO[P@@](=O)(O)OCC[N+](C)(C)C)OC(=O)CCCCCC\C=C\CCCCCCCCC
CACTVS 3.341CCCCCCCCCC=CCCCCCCC(=O)OC[C](C)(CO[P](O)(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCC=CCCCCCCCCC
ACDLabs 10.04O=C(OC(COP(=O)(OCC[N+](C)(C)C)O)(C)COC(=O)CCCCCC\C=C/CCCCCCCCC)CCCCCC/C=C/CCCCCCCCC
CACTVS 3.341CCCCCCCCC\C=C/CCCCCCC(=O)OC[C@](C)(CO[P@](O)(=O)OCC[N+](C)(C)C)OC(=O)CCCCCC/C=C/CCCCCCCCC
Name:(7R,17E)-4-HYDROXY-N,N,N,7-TETRAMETHYL-7-[(8E)-OCTADEC-8-ENOYLOXY]-10-OXO-3,5,9-TRIOXA-4-PHOSPHAHEPTACOS-17-EN-1-AMINIUM 4-OXIDE;
DIOLEOYL-PHOSPHATIDYLCHOLINE
ZINC: ZINC000098209269
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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