CHEBI:17052 - 3-phosphoshikimic acid

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ChEBI Name 3-phosphoshikimic acid ChEBI ID CHEBI:17052 Stars This entity has been manually annotated by the ChEBI Team. Secondary ChEBI IDs CHEBI:11886, CHEBI:20195, CHEBI:9134, CHEBI:15084 Supplier Information ChemicalBook:CB3364529, ChemicalBook:CB34796861, eMolecules:29538748, eMolecules:490388, Selleckchem:Chloramphenicol(Chloromycetin), ZINC000000113382 Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C7H11O8P Net Charge 0 Average Mass 254.13120 Monoisotopic Mass 254.01915 InChI InChI=1S/C7H11O8P/c8-4-1-3(7(10)11)2-5(6(4)9)15-16(12,13)14/h2,4-6,8-9H,1H2,(H,10,11)(H2,12,13,14)/t4-,5-,6+/m1/s1 InChIKey QYOJSKGCWNAKGW-PBXRRBTRSA-N SMILES O[C@@H]1CC(=C[C@@H](OP(O)(O)=O)[C@H]1O)C(O)=O Metabolite of Species Details Escherichia coli (NCBI:txid562) See: PubMed Roles Classification Biological Role(s): Escherichia coli metabolite Any bacterial metabolite produced during a metabolic reaction in Escherichia coli. View more via ChEBI Ontology ChEBI Ontology Outgoing 3-phosphoshikimic acid (CHEBI:17052) has functional parent shikimic acid (CHEBI:16119) 3-phosphoshikimic acid (CHEBI:17052) has role Escherichia coli metabolite (CHEBI:76971) 3-phosphoshikimic acid (CHEBI:17052) is a phosphoshikimic acid (CHEBI:37412) 3-phosphoshikimic acid (CHEBI:17052) is conjugate acid of 3-phosphonatoshikimate(3−) (CHEBI:145989) Incoming 3-phosphonatoshikimate(3−) (CHEBI:145989) is conjugate base of 3-phosphoshikimic acid (CHEBI:17052) IUPAC Name rel-(3R,4S,5R)-4,5-dihydroxy-3-(phosphonooxy)cyclohex-1-ene-1-carboxylic acid Synonyms Sources Shikimate 3-phosphate KEGG COMPOUND Shikimate 5-phosphate KEGG COMPOUND Manual Xrefs Databases C00000002 KNApSAcK C03175 KEGG COMPOUND DB04328 DrugBank S3P PDBeChem View more database links Last Modified 25 January 2016

General Comment 2004-04-30 The numbering system used for the 3-phosphoshikimate is that of the IUPAC/IUBMB recommendations on cyclitols, sections I-8 and I-9. The use of the term '5-phosphoshikimate' for this compound is based on an earlier system of numbering.