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CHEBI:138890 - peregrinol diphosphate

ChEBI IDCHEBI:138890
ChEBI Nameperegrinol diphosphate
Stars
DefinitionA diterpenyl phosphate that is the 15-O-diphospho derivative of peregrinol.
Last Modified3 December 2019
SubmitterSteve
DownloadsMolfile
FormulaC20H38O8P2
Net Charge0
Average Mass468.464
Monoisotopic Mass468.20419
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)/b15-10+/t16-,17+,19+,20-/m1/s1
InChIKeyBXBWAHVSCRSIHO-UEHSRLBXSA-N
ChEBI Ontology
Outgoing Relation(s)
peregrinol diphosphate (CHEBI:138890) has functional parent peregrinol (CHEBI:145550)
peregrinol diphosphate (CHEBI:138890) is a diterpenyl phosphate (CHEBI:36772)
peregrinol diphosphate (CHEBI:138890) is a labdane diterpenoid (CHEBI:36770)
peregrinol diphosphate (CHEBI:138890) is a tertiary alcohol (CHEBI:26878)
peregrinol diphosphate (CHEBI:138890) is conjugate acid of peregrinol diphosphate(3−) (CHEBI:138232)
Incoming Relation(s)
peregrinol diphosphate(3−) (CHEBI:138232) is conjugate base of peregrinol diphosphate (CHEBI:138890)
IUPAC Name 
(2E)-5-[(1R,2R,4aS,8aS)-1-hydroxy-2,5,5,8a-tetramethyldecahydronaphthalen-1-yl]-3-methylpent-2-en-1-yl trihydrogen diphosphate
Manual XrefsDatabases
CPD-20436MetaCyc
Citations