CHEBI:134117 - presqualene monophosphate

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ChEBI Name presqualene monophosphate ChEBI ID CHEBI:134117 Definition A triterpenyl phosphate that is presqualene in which the hydroxy hydrogen has been replaced by a monophosphate group. Stars This entity has been manually annotated by the ChEBI Team. Submitter Steve Jupe Supplier Information No supplier information found for this compound. Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C30H51O4P Net Charge 0 Average Mass 506.698 Monoisotopic Mass 506.35250 InChI InChI=1S/C30H51O4P/c1-23(2)13-9-15-25(5)17-11-18-27(7)21-28-29(22-34-35(31,32)33)30(28,8)20-12-19-26(6)16-10-14-24(3)4/h13-14,17,19,21,28-29H,9-12,15-16,18,20,22H2,1-8H3,(H2,31,32,33)/b25-17+,26-19+,27-21+/t28-,29-,30-/m0/s1 InChIKey GPKFJNOMPPCLGX-VYCBRMPGSA-N SMILES [C@@H]1([C@H](/C=C(/CC/C=C(/CCC=C(C)C)\C)\C)[C@@]1(CC/C=C(/CCC=C(C)C)\C)C)COP(O)(O)=O ChEBI Ontology Outgoing presqualene monophosphate (CHEBI:134117) has functional parent presqualene alcohol (CHEBI:176962) presqualene monophosphate (CHEBI:134117) is a triterpenoid (CHEBI:36615) presqualene monophosphate (CHEBI:134117) is a triterpenyl phosphate (CHEBI:36780) presqualene monophosphate (CHEBI:134117) is conjugate acid of presqualene monophosphate(2−) (CHEBI:176803) Incoming presqualene monophosphate(2−) (CHEBI:176803) is conjugate base of presqualene monophosphate (CHEBI:134117) IUPAC Name {(1S,2S,3S)-2-[(3E)-4,8-dimethylnona-3,7-dien-1-yl]-2-methyl-3-[(2E,6E)-2,6,10-trimethylundeca-1,5,9-trien-1-yl]cyclopropan-1-yl}methyl dihydrogen phosphate Citations Types Sources 16464866 PubMed citation SUBMITTER 16990613 PubMed citation Europe PMC 23568778 PubMed citation Europe PMC 9353124 PubMed citation SUBMITTER Last Modified 30 July 2021