CHEBI:15442 - presqualene diphosphate

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name presqualene diphosphate
ChEBI ID CHEBI:15442
Definition A triterpenyl phosphate that is presqualene in which the hydroxy hydrogen has been replaced by a diphosphate group.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:26261, CHEBI:8401, CHEBI:14886
Supplier Information
Download Molfile XML SDF
Formula C30H52O7P2
Net Charge 0
Average Mass 586.67720
Monoisotopic Mass 586.31883
InChI InChI=1S/C30H52O7P2/c1-23(2)13-9-15-25(5)17-11-18-27(7)21-28-29(22-36-39(34,35)37-38(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,(H,34,35)(H2,31,32,33)/b25-17+,26-19+,27-21+/t28-,29-,30-/m0/s1
InChIKey ATZKAUGGNMSCCY-VYCBRMPGSA-N
SMILES [H][C@]1(COP(O)(=O)OP(O)(O)=O)[C@]([H])(\C=C(/C)CC\C=C(/C)CCC=C(C)C)[C@]1(C)CC\C=C(/C)CCC=C(C)C
Metabolite of Species Details
Mus musculus (NCBI:txid10090) Source: BioModels - MODEL1507180067 See: PubMed
Roles Classification
Biological Role(s): mouse metabolite
Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
View more via ChEBI Ontology
ChEBI Ontology
Outgoing presqualene diphosphate (CHEBI:15442) has functional parent presqualene alcohol (CHEBI:176962)
presqualene diphosphate (CHEBI:15442) has role mouse metabolite (CHEBI:75771)
presqualene diphosphate (CHEBI:15442) is a triterpenoid (CHEBI:36615)
presqualene diphosphate (CHEBI:15442) is a triterpenyl phosphate (CHEBI:36780)
presqualene diphosphate (CHEBI:15442) is conjugate acid of presqualene diphosphate(3−) (CHEBI:57310)
Incoming presqualene diphosphate(3−) (CHEBI:57310) is conjugate base of presqualene diphosphate (CHEBI:15442)
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 trihydrogen diphosphate
Synonyms Sources
[(1S,2S,3S)-2-[(E)-4,8-dimethylnona-3,7-dienyl]-2-methyl-3-[(2E,6E)-2,6,10-trimethylundeca-1,5,9-trienyl]cyclopropan-1-yl]methyl diphosphate IUBMB
Presqualene diphosphate KEGG COMPOUND
Manual Xref Database
C03428 KEGG COMPOUND
View more database links
Last Modified
30 July 2021