EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

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

ChEBI IDCHEBI:50279
ChEBI Name(1S,2S,3S)-prephytoene diphosphate
Stars
ASCII Name(1S,2S,3S)-prephytoene diphosphate
Last Modified16 July 2008
SubmitterKirill Degtyarenko
DownloadsMolfile
FormulaC40H68O7P2
Net Charge0
Average Mass722.925
Monoisotopic Mass722.44403
SMILESCC(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
InChIInChI=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
InChIKeyRVCNKTPCHZNAAO-XGYYIUAYSA-N
ChEBI Ontology
Outgoing Relation(s)
(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 Relation(s)
(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 pyrophosphateChemIDplus
Registry NumbersSources
Beilstein:2034536Beilstein
CAS:38005-61-7ChemIDplus