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2-(carboxymethyl)-2-hydroxysuccinate (CHEBI:35809)

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ChEBI Name 2-(carboxymethyl)-2-hydroxysuccinate
ChEBI ID CHEBI:35809
Last Modified 18 December 2007
Stars This entity has been manually annotated by the ChEBI Team.
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InChI
InChI=1/C6H8O7/c7-3(8)1-6(13,5(11)12)2-4(9)10/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)/p-2/fC6H6O7/h7H/q-2
InChIKey
InChIKey=KRKNYBCHXYNGOX-WEPMLJKHCY
SMILES
OC(=O)CC(O)(CC([O-])=O)C([O-])=O
Formula Source
C6H6O7 ChEBI
Charge -2
Mass 190.10764
ChEBI Ontology
Tree view
Outgoing 2-(carboxymethyl)-2-hydroxysuccinate (CHEBI:35809) is a citrate(2−) (CHEBI:35808)
2-(carboxymethyl)-2-hydroxysuccinate (CHEBI:35809) is tautomer of 3-carboxy-3-hydroxypentanedioate (CHEBI:35810)
2-(carboxymethyl)-2-hydroxysuccinate (CHEBI:35809) is conjugate base of 3-carboxy-2-(carboxymethyl)-2-hydroxypropanoate (CHEBI:35802)
2-(carboxymethyl)-2-hydroxysuccinate (CHEBI:35809) is conjugate base of 3,4-dicarboxy-3-hydroxybutanoate (CHEBI:35806)
Incoming 3-carboxy-3-hydroxypentanedioate (CHEBI:35810) is tautomer of 2-(carboxymethyl)-2-hydroxysuccinate (CHEBI:35809)
3-carboxy-2-(carboxymethyl)-2-hydroxypropanoate (CHEBI:35802) is conjugate acid of 2-(carboxymethyl)-2-hydroxysuccinate (CHEBI:35809)
3,4-dicarboxy-3-hydroxybutanoate (CHEBI:35806) is conjugate acid of 2-(carboxymethyl)-2-hydroxysuccinate (CHEBI:35809)
IUPAC Name
2-(carboxymethyl)-2-hydroxybutanedioate
Registry Numbers Types Sources
1342048 Gmelin Registry Number Gmelin
3673370 Beilstein Registry Number Beilstein

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