CHEBI:138890 - peregrinol diphosphate

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ChEBI Name peregrinol diphosphate ChEBI ID CHEBI:138890 Definition A diterpenyl phosphate that is the 15-O-diphospho derivative of peregrinol. Stars This entity has been manually annotated by the ChEBI Team. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C20H38O8P2 Net Charge 0 Average Mass 468.459 Monoisotopic Mass 468.20419 InChI InChI=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 InChIKey BXBWAHVSCRSIHO-UEHSRLBXSA-N SMILES [C@@]1(CC/C(/C)=C/COP(OP(=O)(O)O)(=O)O)([C@@H](CC[C@@]2([C@]1(C)CCCC2(C)C)[H])C)O ChEBI Ontology Outgoing 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 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 Xref Database CPD-20436 MetaCyc View more database links Citation Type Source 24990389 PubMed citation Europe PMC Last Modified 03 December 2019