SEQ2FUN

BioLiP

PDB CCD ID: Z7B
Number of entries in BioLiP: 1
Chemical formula: C32 H67 O4 P
InChI: InChI=1S/C32H67O4P/c1-7-8-9-10-11-17-28(2)18-12-19-29(3)20-13-21-30(4)22-14-23-31(5)24-15-25-32(6)26-16-27-36-37(33,34)35/h28-32H,7-27H2,1-6H3,(H2,33,34,35)/t28-,29-,30-,31-,32-/m0/s1
InChIKey: WLNOCCJMGSEDAT-XDIGFQIYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.6CCCCCCCC(C)CCCC(C)CCCC(C)CCCC(C)CCCC(C)CCCOP(=O)(O)O
ACDLabs 12.01O=P(OCCCC(CCCC(C)CCCC(C)CCCC(C)CCCC(C)CCCCCCC)C)(O)O
CACTVS 3.370CCCCCCC[C@H](C)CCC[C@H](C)CCC[C@H](C)CCC[C@H](C)CCC[C@H](C)CCCO[P](O)(O)=O
CACTVS 3.370CCCCCCC[CH](C)CCC[CH](C)CCC[CH](C)CCC[CH](C)CCC[CH](C)CCCO[P](O)(O)=O
OpenEye OEToolkits 1.7.6CCCCCCC[C@H](C)CCC[C@H](C)CCC[C@H](C)CCC[C@H](C)CCC[C@H](C)CCCOP(=O)(O)O
Name:(4S,8S,16S,20S)-4,8,12,16,20-pentamethylheptacosyl dihydrogen phosphate
Reference:
  • Chengxin Zhang, Xi Zhang, Lydia 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).