EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:138310 - (−)-kolavenyl diphosphate(3−)

ChEBI IDCHEBI:138310
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+/m1/s1
InChIKeyLKJRXYMJDDAXEN-UUMJGGROSA-K
ChEBI Ontology
Outgoing Relation(s)
(−)-kolavenyl diphosphate(3−) (CHEBI:138310) is a organophosphate oxoanion (CHEBI:58945)
(−)-kolavenyl diphosphate(3−) (CHEBI:138310) is conjugate base of (−)-kolavenyl diphosphate (CHEBI:139033)
(−)-kolavenyl diphosphate(3−) (CHEBI:138310) is enantiomer of (+)-kolavenyl diphosphate(3−) (CHEBI:138311)
Incoming Relation(s)
(−)-kolavenyl diphosphate (CHEBI:139033) is conjugate acid of (−)-kolavenyl diphosphate(3−) (CHEBI:138310)
(+)-kolavenyl diphosphate(3−) (CHEBI:138311) is enantiomer of (−)-kolavenyl diphosphate(3−) (CHEBI:138310)
UniProt Name  Source
(−)-kolavenyl diphosphateUniProt
Manual XrefsDatabases
CPD-20259MetaCyc
Citations