CHEBI:139033 - (−)-kolavenyl diphosphate

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ChEBI Name (−)-kolavenyl diphosphate
ChEBI ID CHEBI:139033
ChEBI ASCII Name (-)-kolavenyl diphosphate
Definition A diterpenyl phosphate that is the O-diphospho derivative of (−)-kolavenol
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C20H36O7P2
Net Charge 0
Average Mass 450.444
Monoisotopic Mass 450.19363
InChI InChI=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+/m1/s1
InChIKey LKJRXYMJDDAXEN-UUMJGGROSA-N
SMILES [C@@]1(CC/C(/C)=C/COP(OP(=O)(O)O)(=O)O)([C@H](C)CC[C@@]2([C@]1([H])CCC=C2C)C)C
Metabolite of Species Details
Salvia divinorum (NCBI:txid28513) See: PubMed
Roles Classification
Biological Role(s): plant metabolite
Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
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ChEBI Ontology
Outgoing (−)-kolavenyl diphosphate (CHEBI:139033) has role plant metabolite (CHEBI:76924)
(−)-kolavenyl diphosphate (CHEBI:139033) is a diterpenyl phosphate (CHEBI:36772)
(−)-kolavenyl diphosphate (CHEBI:139033) is a octahydronaphthalenes (CHEBI:138397)
(−)-kolavenyl diphosphate (CHEBI:139033) is conjugate acid of (−)-kolavenyl diphosphate(3−) (CHEBI:138310)
(−)-kolavenyl diphosphate (CHEBI:139033) is enantiomer of (+)-kolavenyl diphosphate (CHEBI:139034)
Incoming (−)-kolavenyl diphosphate(3−) (CHEBI:138310) is conjugate base of (−)-kolavenyl diphosphate (CHEBI:139033)
(+)-kolavenyl diphosphate (CHEBI:139034) is enantiomer of (−)-kolavenyl diphosphate (CHEBI:139033)
IUPAC Name
(2E)-3-methyl-5-[(1S,2R,4aR,8aR)-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 pyrophosphate ChEBI
Manual Xref Database
CPD-20259 MetaCyc
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Citations Waiting for Citations Types Sources
26603275 PubMed citation Europe PMC
27801964 PubMed citation Europe PMC
28204567 PubMed citation Europe PMC
Last Modified
13 November 2017