EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:134117 - presqualene monophosphate

ChEBI IDCHEBI:134117
ChEBI Namepresqualene monophosphate
Stars
DefinitionA triterpenyl phosphate that is presqualene in which the hydroxy hydrogen has been replaced by a monophosphate group.
Last Modified30 July 2021
Submittersjupe
DownloadsMolfile
FormulaC30H51O4P
Net Charge0
Average Mass506.708
Monoisotopic Mass506.35250
SMILESCC(C)=CCC/C(C)=C/CC/C(C)=C/[C@H]1[C@H](COP(=O)(O)O)[C@@]1(C)CC/C=C(\C)CCC=C(C)C
InChIInChI=1S/C30H51O4P/c1-23(2)13-9-15-25(5)17-11-18-27(7)21-28-29(22-34-35(31,32)33)30(28,8)20-12-19-26(6)16-10-14-24(3)4/h13-14,17,19,21,28-29H,9-12,15-16,18,20,22H2,1-8H3,(H2,31,32,33)/b25-17+,26-19+,27-21+/t28-,29-,30-/m0/s1
InChIKeyGPKFJNOMPPCLGX-VYCBRMPGSA-N
ChEBI Ontology
Outgoing Relation(s)
presqualene monophosphate (CHEBI:134117) has functional parent presqualene alcohol (CHEBI:176962)
presqualene monophosphate (CHEBI:134117) is a triterpenoid (CHEBI:36615)
presqualene monophosphate (CHEBI:134117) is a triterpenyl phosphate (CHEBI:36780)
presqualene monophosphate (CHEBI:134117) is conjugate acid of presqualene monophosphate(2−) (CHEBI:176803)
Incoming Relation(s)
presqualene monophosphate(2−) (CHEBI:176803) is conjugate base of presqualene monophosphate (CHEBI:134117)
IUPAC Name 
{(1S,2S,3S)-2-[(3E)-4,8-dimethylnona-3,7-dien-1-yl]-2-methyl-3-[(2E,6E)-2,6,10-trimethylundeca-1,5,9-trien-1-yl]cyclopropan-1-yl}methyl dihydrogen phosphate
Citations