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2-methylcitrate

Properties

Image

Occurences in reactions

MNX_ID

MNXM741276

	#reac
in my sandbox	0
in MNXref (generic)	5
in models (compartimentalized)	8

formula

C₇H₇O₇

charge

-3

mass

203.02082

reference

InChIKey

YNOXCRMFGMSKIJ-UHFFFAOYSA-K

InChI

InChI=1S/C7H10O7/c1-3(5(10)11)7(14,6(12)13)2-4(8)9/h3,14H,2H2,1H3,(H,8,9)(H,10,11)(H,12,13)/p-3

SMILES

CC(C(=O)[O-])C(O)(CC(=O)[O-])C(=O)[O-]

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:15598 chebi:15598	2-methylcitrate 2-Hydroxybutane-1,2,3-tricarboxylate 2-Methylcitrate 2-hydroxybutane-1,2,3-tricarboxylate 2-methylcitrate(3-)
bigg.metabolite:2mcit biggM:2mcit	2-Methylcitrate
hmdb:HMDB0000379	2-Methylcitric acid (2S,3S)-2-Methylcitrate 2-Hydroxy-1,2,3-butanetricarboxylate 2-Hydroxy-1,2,3-butanetricarboxylic acid 2-Hydroxybutane-1,2,3-tricarboxylate 2-Hydroxybutane-1,2,3-tricarboxylic acid 2-Methylcitrate 2-Methylcitric acid, 3H-labeled 2-hydroxy-1-methylpropane-1,2,3-tricarboxylic acid 3-Carboxy-3-hydroxy-2-methylpentanedioic acid Methylcitric acid methylcitric acid
CHEBI:30835 chebi:30835	2-methylcitric acid 2-hydroxy-1,2,3-butanetricarboxylic acid 2-hydroxybutane-1,2,3-tricarboxylic acid 3-C-carboxy-2,4-dideoxy-2-methylpentaric acid
hmdb:HMDB0003610 hmdb:HMDB00379 hmdb:HMDB03610 chebi:11592 chebi:11618 chebi:1203 chebi:19630 chebi:19695 chebi:19696 biggM:M_2mcit	secondary/obsolete/fantasy identifier