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

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2-[(1S)-2,2,3-Trimethyl-4-oxocyclopentyl]acetic acid

MNXM97141 is deprecated and here replaced by MNXM1372153
!!! Alternative mappings exist !!!

	Properties	Image
MNX_ID	MNXM1372153
reference	chebi:181383
formula	C₁₀H₁₆O₃
global charge	0
mol weight	184.235
InChIKey	VRCGDJCVKWWRME-MLWJPKLSSA-N
InChI	InChI=1S/C10H16O3/c1-6-8(11)4-7(5-9(12)13)10(6,2)3/h6-7H,4-5H2,1-3H3,(H,12,13)/t6?,7-/m0/s1
SMILES	CC1C(=O)C[C@@H](CC(=O)O)C1(C)C

MNX internals

InChI (mnx)	InChI=1/C10H16O3/c1-6-8(11)4-7(5-9(12)13)10(6,2)3/h6-7H,4-5H2,1-3H3,(H,12,13)/t6?,7-/m0/s1
SMILES (mnx)	[CH3:1][CH:6]1[C:8](=[O:11])[CH2:4][C@@H:7]([CH2:5][C:9](=[O:12])[OH:13])[C:10]1([CH3:2])[CH3:3]

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	1
in models (compartimentalized)	0

Similar chemical compounds in external resources
Identifier	Description
CHEBI:181383 chebi:181383 VRCGDJCVKWWRME-MLWJPKLSSA-N	2-[(1S)-2,2,3-Trimethyl-4-oxocyclopentyl]acetic acid 2-[(1S)-2,2,3-trimethyl-4-oxocyclopentyl]acetic acid
seed.compound:cpd24284 seedM:cpd24284 VRCGDJCVKWWRME-MLWJPKLSSA-M	(1S)-alpha-campholonate (enol form) [(1S)-4-hydroxy-2,2,3-trimethylcyclopent-3-enyl]acetate
metacyc.compound:CPD-14306 metacycM:CPD-14306 VRCGDJCVKWWRME-MLWJPKLSSA-M	[(1S)-2,2,3-trimethyl-4-oxocyclopentyl]acetate (1S)-alpha-campholonate (keto form)
seed.compound:cpd31033 seedM:cpd31033 kegg.compound:C20324 keggC:C20324 VRCGDJCVKWWRME-MLWJPKLSSA-M VRCGDJCVKWWRME-MLWJPKLSSA-N	[(1S)-4-Hydroxy-2,2,3-trimethylcyclopent-3-enyl]acetate
keggC:M_C20324 seedM:M_cpd24284 seedM:M_cpd31033	secondary/obsolete/fantasy identifier