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(2S)-homocitric acid

PropertiesImage
MNX_IDMNXM147632 Image of MNXM147632
referencechebi:143966
formulaC7H10O7
global charge0
mol weight206.15
InChIKeyXKJVEVRQMLKSMO-ZETCQYMHSA-N
InChIInChI=1S/C7H10O7/c8-4(9)1-2-7(14,6(12)13)3-5(10)11/h14H,1-3H2,(H,8,9)(H,10,11)(H,12,13)/t7-/m0/s1
SMILESO=C(O)CC[C@](O)(CC(=O)O)C(=O)O
MNX internals
InChI (mnx)InChI=1/C7H10O7/c8-4(9)1-2-7(14,6(12)13)3-5(10)11/h14H,1-3H2,(H,8,9)(H,10,11)(H,12,13)/t7-/m0/s1 Image of MNXM147632
SMILES (mnx)[CH2:1]([CH2:2][C@:7]([CH2:3][C:5](=[O:10])[OH:11])([C:6](=[O:12])[OH:13])[OH:14])[C:4](=[O:8])[OH:9]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)2
in models (compartimentalized) 4
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:143966
chebi:143966
XKJVEVRQMLKSMO-ZETCQYMHSA-N 		(2S)-homocitric acid
(2S)-2-hydroxybutane-1,2,4-tricarboxylic acid
(S)-2-hydroxybutane-1,2,4-tricarboxylic acid
(S)-homocitric acid

metacyc.compound:CPD-150
metacycM:CPD-150
XKJVEVRQMLKSMO-ZETCQYMHSA-N 		(2S)-homocitrate
(S)-2-hydroxy-1,2,4-butanetricarboxylic acid

bigg.metabolite:Shcit
biggM:Shcit
XKJVEVRQMLKSMO-ZETCQYMHSA-N 		S-homocitrate

seed.compound:cpd15833
seedM:cpd15833
XKJVEVRQMLKSMO-ZETCQYMHSA-K 		S-homocitrate
(2S)-homocitrate
(S)-2-hydroxy-1,2,4-butanetricarboxylic acid
(S)-homocitrate
Shcit

biggM:M_Shcit
seedM:M_cpd15833 		secondary/obsolete/fantasy identifier