CHEBI:50279 - (1S,2S,3S)-prephytoene diphosphate

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name (1S,2S,3S)-prephytoene diphosphate
ChEBI ID CHEBI:50279
ChEBI ASCII Name (1S,2S,3S)-prephytoene diphosphate
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C40H68O7P2
Net Charge 0
Average Mass 722.91124
Monoisotopic Mass 722.444
InChI InChI=1S/C40H68O7P2/c1-31(2)17-11-19-33(5)21-13-23-35(7)25-15-26-37(9)29-38-39(30-46-49(44,45)47-48(41,42)43)40(38,10)28-16-27-36(8)24-14-22-34(6)20-12-18-32(3)4/h17-18,21-22,25,27,29,38-39H,11-16,19-20,23-24,26,28,30H2,1-10H3,(H,44,45)(H2,41,42,43)/b33-21+,34-22+,35-25+,36-27+,37-29+/t38-,39-,40-/m0/s1
InChIKey RVCNKTPCHZNAAO-XGYYIUAYSA-N
SMILES CC(C)=CCC\C(C)=C\CC\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)CC\C=C(/C)CCC=C(C)C
ChEBI Ontology
Outgoing (1S,2S,3S)-prephytoene diphosphate (CHEBI:50279) is a prephytoene diphosphate (CHEBI:14885)
(1S,2S,3S)-prephytoene diphosphate (CHEBI:50279) is enantiomer of (1R,2R,3R)-prephytoene diphosphate (CHEBI:17090)
Incoming (1R,2R,3R)-prephytoene diphosphate (CHEBI:17090) is enantiomer of (1S,2S,3S)-prephytoene diphosphate (CHEBI:50279)
IUPAC Name
{(1S,2S,3S)-2-methyl-3-[(1E,5E,9E)-2,6,10,14-tetramethylpentadeca-1,5,9,13-tetraen-1-yl]-2-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trien-1-yl]cyclopropyl}methyl trihydrogen diphosphate
Synonym Source
prelycopersene pyrophosphate ChemIDplus
Registry Numbers Types Sources
2034536 Beilstein Registry Number Beilstein
38005-61-7 CAS Registry Number ChemIDplus
Last Modified
16 July 2008