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CHEBI:138311 - (+)-kolavenyl diphosphate(3−)

ChEBI IDCHEBI:138311
ChEBI Name(+)-kolavenyl diphosphate(3−)
Stars
ASCII Name(+)-kolavenyl diphosphate(3-)
DefinitionAn organophosphate oxoanion obtained by deprotonation of diphosphate OH groups of (+)-kolavenyl diphosphate; major species at pH 7.3.
Last Modified13 November 2017
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC20H33O7P2
Net Charge-3
Average Mass447.425
Monoisotopic Mass447.17180
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)/p-3/b15-11+/t17-,18-,19+,20+/m0/s1
InChIKeyLKJRXYMJDDAXEN-LZLHAIBVSA-K
ChEBI Ontology
Outgoing Relation(s)
(+)-kolavenyl diphosphate(3−) (CHEBI:138311) is a organophosphate oxoanion (CHEBI:58945)
(+)-kolavenyl diphosphate(3−) (CHEBI:138311) is conjugate base of (+)-kolavenyl diphosphate (CHEBI:139034)
(+)-kolavenyl diphosphate(3−) (CHEBI:138311) is enantiomer of (−)-kolavenyl diphosphate(3−) (CHEBI:138310)
Incoming Relation(s)
(+)-kolavenyl diphosphate (CHEBI:139034) is conjugate acid of (+)-kolavenyl diphosphate(3−) (CHEBI:138311)
(−)-kolavenyl diphosphate(3−) (CHEBI:138310) is enantiomer of (+)-kolavenyl diphosphate(3−) (CHEBI:138311)
Synonym  Source
(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 diphosphateMetaCyc
UniProt Name  Source
(+)-kolavenyl diphosphateUniProt
Manual XrefsDatabases
CPD-20430MetaCyc
Citations