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CHEBI:138232 - peregrinol diphosphate(3−)

ChEBI IDCHEBI:138232
ChEBI Nameperegrinol diphosphate(3−)
Stars
ASCII Nameperegrinol diphosphate(3-)
DefinitionAn organophosphate oxoanion obtained by deprotonation of the diphosphate OH groups of peregrinol diphosphate; major species at pH 7.3.
Last Modified30 October 2017
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC20H35O8P2
Net Charge-3
Average Mass465.440
Monoisotopic Mass465.18236
SMILES[H][C@@]12CC[C@@H](C)[C@](O)(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)9-13-20(21)16(2)7-8-17-18(3,4)11-6-12-19(17,20)5/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
InChIKeyBXBWAHVSCRSIHO-UEHSRLBXSA-K
ChEBI Ontology
Outgoing Relation(s)
peregrinol diphosphate(3−) (CHEBI:138232) is a organophosphate oxoanion (CHEBI:58945)
peregrinol diphosphate(3−) (CHEBI:138232) is conjugate base of peregrinol diphosphate (CHEBI:138890)
Incoming Relation(s)
peregrinol diphosphate (CHEBI:138890) is conjugate acid of peregrinol diphosphate(3−) (CHEBI:138232)
IUPAC Name 
(2E)-5-[(1R,2R,4aS,8aS)-1-hydroxy-2,5,5,8a-tetramethyldecahydronaphthalen-1-yl]-3-methylpent-2-en-1-yl diphosphate
Synonym  Source
(13E)-9-hydroxy-8α-labda-13-en-15-yl diphosphateSUBMITTER
UniProt Name  Source
peregrinol diphosphateUniProt
Manual XrefsDatabases
CPD-20436MetaCyc
Citations