Chem
J-GLOBAL ID:200907041136897916
Nikkaji number:J1.534.785F
Methylisocitrate
メチルイソクエン酸
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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:
C7 H10 O7
Molecular formula furigana:
C7-H10-O7
Molecular weight:
206.150
InChI:
InChI=1S/C7H10O7/c1-7(14,6(12)13)3(5(10)11)2-4(8)9/h3,14H,2H2,1H3,(H,8,9)(H,10,11)(H,12,13)/t3-,7-/m1/s1
InChI key:
HHKPKXCSHMJWCF-WVBDSBKLSA-N
SMILES:
C[C@@](O)([C@H](CC(=O)O)C(=O)O)C(=O)O
Systematic name (6):
(2S,3R)-3-ヒドロキシ-1,2,3-ブタントリカルボン酸
(2R,3S)-2-ヒドロキシ-2-メチル-3-カルボキシペンタン二酸
(2S,3R)-3-ヒドロキシブタン-1,2,3-トリカルボン酸
(1R,2S)-1-ヒドロキシ-1-メチル-1,2,3-プロパントリカルボン酸
(1R,2S)-1-ヒドロキシ-1-メチルプロパン-1,2,3-トリカルボン酸
(1R,2S)-1-hydroxy-1-methylpropane-1,2,3-tricarboxylic acid
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Other name (10):
(2S,3R)-3-Hydroxy-1,2,3-butanetricarboxylic acid
(2R,3S)-2-Hydroxy-2-methyl-3-carboxypentanedioic acid
(2S,3R)-3-Hydroxybutane-1,2,3-tricarboxylic acid
(1R,2S)-1-Hydroxy-1-methyl-1,2,3-propanetricarboxylic acid
(2R,3S)-2-メチルイソくえん酸
(2R,3S)-2-Methylisocitric acid
(2S,3R)-3-Hydroxybutane-1,2,3-tricarboxylate
Methylisocitrate
Methylisocitric acid
メチルイソクエン酸
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