CHEBI:138232 - peregrinol diphosphate(3−)

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ChEBI Name peregrinol diphosphate(3−) ChEBI ID CHEBI:138232 ChEBI ASCII Name peregrinol diphosphate(3-) Definition An organophosphate oxoanion obtained by deprotonation of the diphosphate OH groups of peregrinol diphosphate; major species at pH 7.3. Stars This entity has been manually annotated by the ChEBI Team. Submitter Kristian Axelsen 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 C20H35O8P2 Net Charge -3 Average Mass 465.435 Monoisotopic Mass 465.18236 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)/p-3/b15-10+/t16-,17+,19+,20-/m1/s1 InChIKey BXBWAHVSCRSIHO-UEHSRLBXSA-K 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(3−) (CHEBI:138232) is a organophosphate oxoanion (CHEBI:58945) peregrinol diphosphate(3−) (CHEBI:138232) is conjugate base of peregrinol diphosphate (CHEBI:138890) Incoming 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 Synonyms Sources (13E)-9-hydroxy-8α-labda-13-en-15-yl diphosphate SUBMITTER peregrinol diphosphate UniProt Manual Xref Database CPD-20436 MetaCyc View more database links Citation Type Source 24990389 PubMed citation SUBMITTER Last Modified 30 October 2017