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(Q106039149)
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English
3-[(1S,4R)-4-hydroxycyclohex-2-en-1-yl]pyruvic acid
chemical compound
3-[(1S,4R)-4-hydroxycyclohex-2-en-1-yl]-2-oxopropanoic acid
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Statements
instance of
type of chemical entity
0 references
subclass of
tetrahydro-4-hydroxyphenylpyruvic acid
1 reference
based on heuristic
inferred from InChIKey
mass
184.07355886399998
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
3-[(1R,4R)-4-hydroxycyclohex-2-en-1-yl]pyruvic acid
1 reference
based on heuristic
inferred from InChI
chemical formula
C₉H₁₂O₄
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
O=C(O)C(=O)CC1C=CC(O)CC1
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
O=C(O)C(=O)C[C@H]1C=C[C@H](O)CC1
1 reference
based on heuristic
inferred from InChI
found in taxon
Bacillus subtilis
1 reference
stated in
Stereochemical outcome at four stereogenic centers during conversion of prephenate to tetrahydrotyrosine by BacABGF in the bacilysin pathway
Identifiers
InChI
InChI=1S/C9H12O4/c10-7-3-1-6(2-4-7)5-8(11)9(12)13/h1,3,6-7,10H,2,4-5H2,(H,12,13)/t6-,7-/m0/s1
1 reference
stated in
ChEBI release 2021-03-01
InChIKey
ABMPOYCAXJZJJB-BQBZGAKWSA-N
1 reference
stated in
ChEBI release 2021-03-01
PubChem CID
91820490
1 reference
stated in
ChEBI release 2021-03-01
ChEBI ID
137660
mapping relation type
exact match
2 references
stated in
ChEBI release 2021-03-01
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C9H12O4/c10-7-3-1-6(2-4-7)5-8(11)9(12)13/h1,3,6-7,10H,2,4-5H2,(H,12,13)/t6-,7-/m0/s1
UniChem compound ID
100792369
1 reference
stated in
UniChem
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