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CHEBI:138807 - ent-copal-8-ol diphosphate

ChEBI IDCHEBI:138807
ChEBI Nameent-copal-8-ol diphosphate
Stars
ASCII Nameent-copal-8-ol diphosphate
DefinitionA diterpenyl phosphate that is the O-diphospho derivative of ent-copal-8-ol.
Last Modified24 October 2017
SubmitterSteve
DownloadsMolfile
FormulaC20H38O8P2
Net Charge0
Average Mass468.464
Monoisotopic Mass468.20419
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)/b15-10+/t16-,17+,19-,20+/m1/s1
InChIKeyZDGVATANBJCRHY-BVVYIIRBSA-N
ChEBI Ontology
Outgoing Relation(s)
ent-copal-8-ol diphosphate (CHEBI:138807) is a diterpenyl phosphate (CHEBI:36772)
ent-copal-8-ol diphosphate (CHEBI:138807) is a labdane diterpenoid (CHEBI:36770)
ent-copal-8-ol diphosphate (CHEBI:138807) is conjugate acid of ent-copal-8-ol diphosphate(3−) (CHEBI:138223)
Incoming Relation(s)
ent-copal-8-ol diphosphate(3−) (CHEBI:138223) is conjugate base of ent-copal-8-ol diphosphate (CHEBI:138807)
IUPAC Name 
(2E)-5-[(1S,2S,4aR,8aR)-2-hydroxy-2,5,5,8a-tetramethyldecahydronaphthalen-1-yl]-3-methylpent-2-en-1-yl trihydrogen diphosphate
Synonyms  Source
ent-8α-hydroxylabd-13-en-15-yl diphosphateChEBI
8β-hydroxy-ent-copalyl pyrophosphateChEBI
8β-hydroxy-ent-copalyl diphosphateChEBI
8β-hydroxy-ent-CPPChEBI
Manual XrefsDatabases
CPD-20257MetaCyc
Registry NumbersSources
Reaxys:27653652Reaxys
Citations