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(S)-2-hydroxymethylglutarate

MNXM1983 is deprecated and here replaced by MNXM1368739
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM1368739 Image of MNXM1368739
referencechebi:180543
formulaC6H8O5
global charge-2
mol weight160.125
InChIKeyXPQIPNORJZZYPV-BYPYZUCNSA-L
InChIInChI=1S/C6H10O5/c7-3-4(6(10)11)1-2-5(8)9/h4,7H,1-3H2,(H,8,9)(H,10,11)/p-2/t4-/m0/s1
SMILESO=C([O-])CC[C@@H](CO)C(=O)[O-]
MNX internals
InChI (mnx)InChI=1/C6H10O5/c7-3-4(6(10)11)1-2-5(8)9/h4,7H,1-3H2,(H,8,9)(H,10,11)/t4-/m0/s1 Image of MNXM1368739
SMILES (mnx)[CH2:1]([CH2:2][C:5](=[O:8])[OH:9])[C@@H:4]([CH2:3][OH:7])[C:6](=[O:10])[OH:11]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)2
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:180543
chebi:180543
XPQIPNORJZZYPV-BYPYZUCNSA-L 		(S)-2-hydroxymethylglutarate
(2S)-2-(hydroxymethyl)pentanedioate

kegg.compound:C16390
keggC:C16390
XPQIPNORJZZYPV-BYPYZUCNSA-N 		(S)-2-(Hydroxymethyl)glutarate

seed.compound:cpd15096
seedM:cpd15096
XPQIPNORJZZYPV-BYPYZUCNSA-L 		(S)-2-(Hydroxymethyl)glutarate
(S)-2-hydroxymethylglutarate

metacyc.compound:CPD-9438
metacycM:CPD-9438
XPQIPNORJZZYPV-BYPYZUCNSA-L 		(S)-2-hydroxymethylglutarate

CHEBI:49076
chebi:49076
XPQIPNORJZZYPV-BYPYZUCNSA-N 		(S)-2-hydroxymethylglutaric acid
(2S)-2-(hydroxymethyl)pentanedioic acid
(S)-2-(Hydroxymethyl)glutarate

keggC:M_C16390
seedM:M_cpd15096 		secondary/obsolete/fantasy identifier