SEQ2FUN

BioLiP

PDB CCD ID: A1I0M
Number of entries in BioLiP: 4
Chemical formula: C41 H71 O4 P
InChI: InChI=1S/C41H71O4P/c1-10-34(2)18-11-19-35(3)20-12-21-36(4)22-13-23-37(5)24-14-25-38(6)26-15-27-39(7)28-16-29-40(8)30-17-31-41(9)32-33-45-46(42,43)44/h18,20,22,24,26,28,30,41H,10-17,19,21,23,25,27,29,31-33H2,1-9H3,(H2,42,43,44)/b34-18-,35-20-,36-22-,37-24-,38-26-,39-28-,40-30+/t41-/m0/s1
InChIKey: CMOQFVWDXXQTMI-PJJFLQJDSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7CCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(C)CCOP(=O)(O)O)C)C)C)C)C)C)C
OpenEye OEToolkits 2.0.7CC/C(=C\CC/C(=C\CC/C(=C\CC/C(=C\CC/C(=C\CC/C(=C\CC/C(=C/CC[C@H](C)CCOP(=O)(O)O)/C)/C)/C)/C)/C)/C)/C
CACTVS 3.385CCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCC[CH](C)CCO[P](O)(O)=O
CACTVS 3.385CCC(\C)=C/CC\C(C)=C/CCC(\C)=C/CCC(\C)=C/CCC(\C)=C/CCC(/C)=C\CC\C(C)=C\CC[C@H](C)CCO[P](O)(O)=O
Name:dolichol-phosphate (n=4);
[(3S,6E,10Z,14Z,18Z,22Z,26Z,30Z)-3,7,11,15,19,23,27,31-octamethyltritriaconta-6,10,14,18,22,26,30-heptaenyl] 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).