EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:139034 - (+)-kolavenyl diphosphate

ChEBI IDCHEBI:139034
ChEBI Name(+)-kolavenyl diphosphate
Stars
DefinitionA diterpenyl phosphate that is the O-diphospho derivative of (+)-kolavenol
Last Modified13 November 2017
SubmitterSteve
DownloadsMolfile
FormulaC20H36O7P2
Net Charge0
Average Mass450.449
Monoisotopic Mass450.19363
SMILES[H][C@@]12CCC=C(C)[C@@]1(C)CC[C@H](C)[C@@]2(C)CC/C(C)=C/COP(=O)(O)OP(=O)(O)O
InChIInChI=1S/C20H36O7P2/c1-15(11-14-26-29(24,25)27-28(21,22)23)9-12-19(4)17(3)10-13-20(5)16(2)7-6-8-18(19)20/h7,11,17-18H,6,8-10,12-14H2,1-5H3,(H,24,25)(H2,21,22,23)/b15-11+/t17-,18-,19+,20+/m0/s1
InChIKeyLKJRXYMJDDAXEN-LZLHAIBVSA-N
ChEBI Ontology
Outgoing Relation(s)
(+)-kolavenyl diphosphate (CHEBI:139034) is a diterpenyl phosphate (CHEBI:36772)
(+)-kolavenyl diphosphate (CHEBI:139034) is a octahydronaphthalenes (CHEBI:138397)
(+)-kolavenyl diphosphate (CHEBI:139034) is conjugate acid of (+)-kolavenyl diphosphate(3−) (CHEBI:138311)
(+)-kolavenyl diphosphate (CHEBI:139034) is enantiomer of (−)-kolavenyl diphosphate (CHEBI:139033)
Incoming Relation(s)
(+)-kolavenyl diphosphate(3−) (CHEBI:138311) is conjugate base of (+)-kolavenyl diphosphate (CHEBI:139034)
(−)-kolavenyl diphosphate (CHEBI:139033) is enantiomer of (+)-kolavenyl diphosphate (CHEBI:139034)
IUPAC Name 
(2E)-3-methyl-5-[(1R,2S,4aS,8aS)-1,2,4a,5-tetramethyl-1,2,3,4,4a,7,8,8a-octahydronaphthalen-1-yl]pent-2-en-1-yl trihydrogen diphosphate
Synonym  Source
(+)-kolavenyl pyrophosphateChEBI
Manual XrefsDatabases
CPD-20430MetaCyc