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2-methylcitrate

PropertiesImage
MNX_IDMNXM741276 Image of MNXM741276
referencechebi:15598
formulaC7H7O7
global charge-3
mol weight203.126
InChIKeyYNOXCRMFGMSKIJ-UHFFFAOYSA-K
InChIInChI=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
SMILESCC(C(=O)[O-])C(O)(CC(=O)[O-])C(=O)[O-]
MNX internals
InChI (mnx)InChI=1/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)/t3?,7? Image of MNXM741276
SMILES (mnx)[CH3:1][CH:3]([C:5](=[O:10])[OH:11])[C:7]([CH2:2][C:4](=[O:8])[OH:9])([C:6](=[O:12])[OH:13])[OH:14]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)5
in models (compartimentalized) 8
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:15598
chebi:15598
YNOXCRMFGMSKIJ-UHFFFAOYSA-K 		2-methylcitrate
2-Hydroxybutane-1,2,3-tricarboxylate
2-Methylcitrate
2-hydroxybutane-1,2,3-tricarboxylate
2-methylcitrate(3-)

bigg.metabolite:2mcit
biggM:2mcit
YNOXCRMFGMSKIJ-UHFFFAOYSA-K 		2-Methylcitrate
hmdb:HMDB0000379
YNOXCRMFGMSKIJ-UHFFFAOYSA-N 		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

metacyc.compound:CPD-25849
metacycM:CPD-25849
YNOXCRMFGMSKIJ-UHFFFAOYSA-K 		2-methylcitrate
2-hydroxybutane-1,2,3-tricarboxylate
2-methylcitric acid

CHEBI:30835
chebi:30835
YNOXCRMFGMSKIJ-UHFFFAOYSA-N 		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