DEPOD - human DEPhOsphorylation Database

Name	presqualene diphosphate	Download: mol \| sdf
Synonyms	0Presqualene diphosphate; Psdp; [(1r,2r,3r)-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; {(1r,2r,3r)-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 diphosphate;
Definition	A triterpenyl phosphate that is presqualene in which the hydroxy hydrogen has been replaced by a diphosphate group.
Molecular Weight (Exact mass)	586.6772 (586.3188)
Molecular Formula	C30H52O7P2
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
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
InChI Key	ATZKAUGGNMSCCY-VYCBRMPGSA-N
Crosslinking annotations	KEGG:C03428 \| 3DMET:B01658 \| ChEBI:15442 \| LIPIDMAPS:LMPR0106010003 \| NIKKAJI:J816.761C \| PDB-CCD:PS7 \| PubChem:6255 \|

Pathway ID	Pathway Name	Pathway Description (KEGG)
map00100	Steroid biosynthesis	NA
map00906	Carotenoid biosynthesis	NA
map00909	Sesquiterpenoid and triterpenoid biosynthesis	Sesquiterpenoids (C15 terpenoids) are a group of terpenoids consisting of three isoprene units. They are derive from farnesyl diphosphate (FPP) and can be cyclized to produce various skeletal structures. Sesquiterpenoid biosynthesis begins with the loss of diphosphate from FPP under the action of sesquiterpene synthesis enzymes, generating an allylic cation that is highly susceptible to intramolecular attacks. Cyclization of the farnesyl cation may take place onto either of the remaining double bonds with the result that 6-, 10-, or 11-membered rings may be formed. Many sesquiterpenoids have been isolated from plants, fungi, marine organisms, and Streptomyces species. This map shows a few examples of acyclic and cyclic sesquiterpenoids.
map01100	Metabolic pathways	NA
map01110	Biosynthesis of secondary metabolites	NA
map01130	Biosynthesis of antibiotics	NA

CHEBI:15442