Chem
J-GLOBAL ID：200907061174274281   Nikkaji number：J746.034A

Shikimic acid 3-phosphate

シキミ酸3-りん酸
Substance type：
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula： C7H11O8P
Molecular formula furigana： C7-H11-O8-P
Molecular weight： 254.131
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
InChI key： QYOJSKGCWNAKGW-PBXRRBTRSA-N
SMILES： O[C@@H]1CC(=C[C@@H](OP(=O)(O)O)[C@H]1O)C(=O)O
Systematic name  (4)：
  • りん酸[(1R)-3-カルボキシ-5β,6α-ジヒドロキシ-2-シクロヘキセン]-1α-イル
  • (3R)-3β-(ホスホノオキシ)-4β,5α-ジヒドロキシ-1-シクロヘキセン-1-カルボン酸
  • (3R,4S,5R)-4,5-ジヒドロキシ-3-(ホスホノオキシ)シクロヘキサ-1-エン-1-カルボン酸
  • (3R,4S,5R)-4,5-dihydroxy-3-(phosphonooxy)cyclohex-1-ene-1-carboxylic acid
Other name (5)：
  • シキミ酸3-りん酸
  • Shikimic acid 3-phosphate
  • (3R)-3β-(Phosphonooxy)-4β,5α-dihydroxy-1-cyclohexene-1-carboxylic acid
  • シキミ酸-3-りん酸
  • Shikimate-3-phosphate
KEGG COMPOUND： C03175
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