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(Q74417167)
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English
mevinic acid anion
anion
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No label defined
No description defined
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Statements
instance of
type of chemical entity
0 references
subclass of
organic anion
0 references
hydroxy monocarboxylic acid anion
0 references
mass
407.2439124199099
dalton
1 reference
based on heuristic
inferred from isomeric SMILES
chemical formula
C₂₃H₃₅O₆⁻
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
CCC(C)C(=O)OC1CCC=C2C=CC(C)C(CCC(O)CC(O)CC(=O)[O-])C21
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
CC[C@H](C)C(=O)O[C@H]1CCC=C2[C@H]1[C@H]([C@H](C=C2)C)CC[C@H](C[C@H](CC(=O)[O-])O)O
0 references
Identifiers
InChI
InChI=1S/C23H36O6/c1-4-14(2)23(28)29-20-7-5-6-16-9-8-15(3)19(22(16)20)11-10-17(24)12-18(25)13-21(26)27/h6,8-9,14-15,17-20,22,24-25H,4-5,7,10-13H2,1-3H3,(H,26,27)/p-1/t14-,15-,17+,18+,19-,20-,22-/m0/s1
0 references
InChIKey
BOZILQFLQYBIIY-INTXDZFKSA-M
2 references
stated in
ChEBI release 2019-11-01
stated in
ChEBI release 2020-09-01
PubChem CID
40474549
1 reference
matched by identifier from
InChIKey
InChIKey
BOZILQFLQYBIIY-INTXDZFKSA-M
ChEBI ID
142050
mapping relation type
exact match
1 reference
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C23H36O6/c1-4-14(2)23(28)29-20-7-5-6-16-9-8-15(3)19(22(16)20)11-10-17(24)12-18(25)13-21(26)27/h6,8-9,14-15,17-20,22,24-25H,4-5,7,10-13H2,1-3H3,(H,26,27)/p-1/t14-,15-,17+,18+,19-,20-,22-/m0/s1
UniChem compound ID
10643688
1 reference
stated in
UniChem
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