MetaNetX
Automated Model Construction and Genome Annotation for Large-Scale Metabolic Networks

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(2R,3S)-2-methylcitrate(3-)

MNXM90279 is deprecated and here replaced by MNXM1108543
!!! Alternative mappings exist !!!

	Properties	Image
MNX_ID	MNXM1108543
reference	chebi:10860
formula	C₇H₇O₇
global charge	-3
mol weight	203.126
InChIKey	YNOXCRMFGMSKIJ-WVBDSBKLSA-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/t3-,7-/m1/s1
SMILES	C[C@H](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-/m1/s1
SMILES (mnx)	[CH3:1][C@H: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)	2

Similar chemical compounds in external resources
Identifier	Description
CHEBI:10860 chebi:10860 YNOXCRMFGMSKIJ-WVBDSBKLSA-K	(2R,3S)-2-methylcitrate(3-) (2R, 3S)-2-Hydroxybutane-1,2,3-tricarboxylate (2R,3S)-2-hydroxybutane-1,2,3-tricarboxylate
lipidmaps:LMFA01050442 lipidmapsM:LMFA01050442 YNOXCRMFGMSKIJ-WVBDSBKLSA-N	(2R,3S)-2-methylcitric acid (2R, 3S)-2-Hydroxybutane-1,2,3-tricarboxylate (2R,3S)-2-hydroxybutane-1,2,3-tricarboxylic acid 2-Hydroxybutane-1,2,3-tricarboxylate 2-Methylcitrate 3-C-carboxy-2,4-dideoxy-2-methyl-D-threo-pentaric acid FA 7:2 O5
CHEBI:30836 chebi:30836 YNOXCRMFGMSKIJ-WVBDSBKLSA-N	(2R,3S)-2-methylcitric acid (2R,3S)-2-Hydroxybutane-1,2,3-tricarboxylate (2R,3S)-2-hydroxybutane-1,2,3-tricarboxylic acid 3-C-carboxy-2,4-dideoxy-2-methyl-D-threo-pentaric acid
sabiork.compound:2387 sabiorkM:2387 YNOXCRMFGMSKIJ-WVBDSBKLSA-K	2-Methylcitrate (2R, 3S)-2-Hydroxybutane-1,2,3-tricarboxylate 2-Hydroxybutane-1,2,3-tricarboxylate
seed.compound:cpd01501 seedM:cpd01501 YNOXCRMFGMSKIJ-WVBDSBKLSA-K	2-Methylcitrate (2R,3S)-2-Hydroxybutane-1,2,3-tricarboxylate 2-Hydroxybutane-1,2,3-tricarboxylate 2-methyl-citrate 2mcit
seedM:M_cpd01501	secondary/obsolete/fantasy identifier