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

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(R)-mevaldate

	Properties	Image
MNX_ID	MNXM732496
reference	chebi:195523
formula	C₆H₉O₄
global charge	-1
mol weight	145.134
InChIKey	CWCYSIIDJAVQSK-ZCFIWIBFSA-M
InChI	InChI=1S/C6H10O4/c1-6(10,2-3-7)4-5(8)9/h3,10H,2,4H2,1H3,(H,8,9)/p-1/t6-/m1/s1
SMILES	C[C@@](O)(CC=O)CC(=O)[O-]

MNX internals

InChI (mnx)	InChI=1/C6H10O4/c1-6(10,2-3-7)4-5(8)9/h3,10H,2,4H2,1H3,(H,8,9)/t6-/m1/s1
SMILES (mnx)	[CH3:1][C@@:6]([CH2:2][CH:3]=[O:7])([CH2:4][C:5](=[O:8])[OH:9])[OH:10]

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	3
in models (compartimentalized)	1

Similar chemical compounds in external resources
Identifier	Description
CHEBI:195523 chebi:195523 CWCYSIIDJAVQSK-ZCFIWIBFSA-M	(R)-mevaldate
metacyc.compound:MEVALDATE metacycM:MEVALDATE CWCYSIIDJAVQSK-ZCFIWIBFSA-M	(R)-mevaldate (R)-mevaldic acid
seed.compound:cpd00574 seedM:cpd00574 CWCYSIIDJAVQSK-ZCFIWIBFSA-M	Mevaldate (R)-mevaldate (R)-mevaldic acid Mevaldic acid mevaldate mevaldic acid
sabiork.compound:5227 sabiorkM:5227 CWCYSIIDJAVQSK-UHFFFAOYSA-N	Mevaldate Mevaldic acid
envipath:...f7d44a65a1ce envipathM:...f7d44a65a1ce CWCYSIIDJAVQSK-UHFFFAOYSA-M	compound 0224441
CHEBI:58219 chebi:58219 CWCYSIIDJAVQSK-UHFFFAOYSA-M	mevaldate 3-hydroxy-3-methyl-5-oxopentanoate mevaldate anion mevaldate(1-)
CHEBI:17646 chebi:17646 CWCYSIIDJAVQSK-UHFFFAOYSA-N	mevaldic acid 3-hydroxy-3-methyl-5-oxopentanoate 3-hydroxy-3-methyl-5-oxopentanoic acid Mevaldate Mevaldic acid
chebi:14606 chebi:25349 chebi:6913 seedM:M_cpd00574	secondary/obsolete/fantasy identifier