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CHEBI:138223 - ent-copal-8-ol diphosphate(3−)

Default Structure
ChEBI IDCHEBI:138223
ChEBI Nameent-copal-8-ol diphosphate(3−)
Stars
ASCII Nameent-copal-8-ol diphosphate(3-)
DefinitionAn organophosphate oxoanion obtained by deprotonation of the diphosphate OH groups of ent-copal-8-ol diphosphate; major species at pH 7.3.
Last Modified24 October 2017
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC20H35O8P2
Net Charge-3
Average Mass465.440
Monoisotopic Mass465.18236
SMILES[H][C@]12CC[C@](C)(O)[C@@H](CC/C(C)=C/COP(=O)([O-])OP(=O)([O-])[O-])[C@]1(C)CCCC2(C)C
InChIInChI=1S/C20H38O8P2/c1-15(10-14-27-30(25,26)28-29(22,23)24)7-8-17-19(4)12-6-11-18(2,3)16(19)9-13-20(17,5)21/h10,16-17,21H,6-9,11-14H2,1-5H3,(H,25,26)(H2,22,23,24)/p-3/b15-10+/t16-,17+,19-,20+/m1/s1
InChIKeyZDGVATANBJCRHY-BVVYIIRBSA-K
ChEBI Ontology
Outgoing Relation(s)
ent-copal-8-ol diphosphate(3−) (CHEBI:138223) is a organophosphate oxoanion (CHEBI:58945)
ent-copal-8-ol diphosphate(3−) (CHEBI:138223) is conjugate base of ent-copal-8-ol diphosphate (CHEBI:138807)
Incoming Relation(s)
ent-copal-8-ol diphosphate (CHEBI:138807) is conjugate acid of ent-copal-8-ol diphosphate(3−) (CHEBI:138223)
IUPAC Name 
(2E)-5-[(1S,2S,4aR,8aR)-2-hydroxy-2,5,5,8a-tetramethyldecahydronaphthalen-1-yl]-3-methylpent-2-en-1-yl diphosphate
Synonym  Source
ent-8α-hydroxylabd-13-en-15-yl diphosphate(3−)ChEBI
UniProt Name  Source
ent-8α-hydroxylabd-13-en-15-yl diphosphateUniProt
Manual XrefsDatabases
CPD-20257MetaCyc
Citations