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CHEBI:15442 - presqualene diphosphate
| Formula | C30H52O7P2 |
| Net Charge | 0 |
| Average Mass | 586.687 |
| Monoisotopic Mass | 586.31883 |
| SMILES | [H][C@]1(/C=C(\C)CC/C=C(\C)CCC=C(C)C)[C@]([H])(COP(=O)(O)OP(=O)(O)O)[C@@]1(C)CC/C=C(\C)CCC=C(C)C |
| 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 |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Mus musculus (ncbitaxon:10090) | - | PubMed (19425150) | Source: BioModels - MODEL1507180067 |
| Roles Classification |
|---|
| Biological Role: | mouse metabolite Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus). |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 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 Relation(s) |
| 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 | Source |
|---|---|
| [(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 |