SEQ2FUN

BioLiP

PDB CCD ID: A1I0N
Number of entries in BioLiP: 4
Chemical formula: C37 H65 O9 P
InChI: InChI=1S/C37H65O9P/c1-8-27(2)14-9-15-28(3)16-10-17-29(4)18-11-19-30(5)20-12-21-31(6)22-13-23-32(7)24-25-44-47(42,43)46-37-36(41)35(40)34(39)33(26-38)45-37/h14,16,18,20,22,32-41H,8-13,15,17,19,21,23-26H2,1-7H3,(H,42,43)/b27-14-,28-16-,29-18-,30-20-,31-22+/t32-,33+,34+,35-,36-,37-/m0/s1
InChIKey: RYYUUUNCYTWVRE-OGASEETLSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7CCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(C)CCOP(=O)(O)OC1C(C(C(C(O1)CO)O)O)O)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@H](C)CCOP(=O)(O)O[C@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)/C)/C)/C)/C)/C
CACTVS 3.385CCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCC[CH](C)CCO[P](O)(=O)O[CH]1O[CH](CO)[CH](O)[CH](O)[CH]1O
CACTVS 3.385CCC(\C)=C/CCC(\C)=C/CCC(\C)=C/CCC(\C)=C/CC\C(C)=C\CC[C@H](C)CCO[P](O)(=O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O
Name:dolichol-phosphate-mannose (n=2);
[(3S,6E,10Z,14Z,18Z,22Z)-3,7,11,15,19,23-hexamethylpentacosa-6,10,14,18,22-pentaenyl] [(2S,3S,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl] hydrogen 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).