CHEBI:57310 - presqualene diphosphate(3−)

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ChEBI Name presqualene diphosphate(3−)
ChEBI ID CHEBI:57310
ChEBI ASCII Name presqualene diphosphate(3-)
Definition A triply-charged organophosphate oxoanion obtained by deprotonation of the phosphate OH groups of presqualene diphosphate.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C30H49O7P2
Net Charge -3
Average Mass 583.65340
Monoisotopic Mass 583.295
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)/p-3/b25-17+,26-19+,27-21+/t28-,29-,30-/m0/s1
InChIKey ATZKAUGGNMSCCY-VYCBRMPGSA-K
SMILES CC(C)=CCC\C(C)=C\CC\C(C)=C\[C@H]1[C@H](COP([O-])(=O)OP([O-])([O-])=O)[C@@]1(C)CC\C=C(/C)CCC=C(C)C
Metabolite of Species Details
Homo sapiens (NCBI:txid9606) See: DOI
Roles Classification
Biological Role(s): human metabolite
Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
View more via ChEBI Ontology
ChEBI Ontology
Outgoing presqualene diphosphate(3−) (CHEBI:57310) has role human metabolite (CHEBI:77746)
presqualene diphosphate(3−) (CHEBI:57310) is a organophosphate oxoanion (CHEBI:58945)
presqualene diphosphate(3−) (CHEBI:57310) is conjugate base of presqualene diphosphate (CHEBI:15442)
Incoming presqualene diphosphate (CHEBI:15442) is conjugate acid of presqualene diphosphate(3−) (CHEBI:57310)
IUPAC Name
{(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
Synonym Source
presqualene diphosphate UniProt
Last Modified
10 March 2014