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

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(R)-mandelate

	Properties	Image
MNX_ID	MNXM1698
reference	chebi:32382
formula	C₈H₇O₃
global charge	-1
mol weight	151.141
InChIKey	IWYDHOAUDWTVEP-SSDOTTSWSA-M
InChI	InChI=1S/C8H8O3/c9-7(8(10)11)6-4-2-1-3-5-6/h1-5,7,9H,(H,10,11)/p-1/t7-/m1/s1
SMILES	O=C([O-])[C@H](O)C1=CC=CC=C1

MNX internals

InChI (mnx)	InChI=1/C8H8O3/c9-7(8(10)11)6-4-2-1-3-5-6/h1-5,7,9H,(H,10,11)/t7-/m1/s1
SMILES (mnx)	[CH:1]1=[CH:2][CH:4]=[C:6]([C@H:7]([C:8](=[O:10])[OH:11])[OH:9])[CH:5]=[CH:3]1

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	4
in models (compartimentalized)	0

Similar chemical compounds in external resources
Identifier	Description
CHEBI:32382 chebi:32382 IWYDHOAUDWTVEP-SSDOTTSWSA-M	(R)-mandelate (2R)-hydroxy(phenyl)acetate (R)-2-Hydroxy-2-phenylacetate (R)-Mandelate
envipath:...af2ef5bf844e envipathM:...af2ef5bf844e vmhM:rmndlt vmhmetabolite:rmndlt IWYDHOAUDWTVEP-SSDOTTSWSA-M IWYDHOAUDWTVEP-SSDOTTSWSA-N	(R)-Mandelate
seed.compound:cpd01357 seedM:cpd01357 IWYDHOAUDWTVEP-SSDOTTSWSA-M	(R)-Mandelate (R)-2-Hydroxy-2-phenylacetate (R)-2-Hydroxy-2-phenylacetic acid (R)-2-hydroxy-2-phenylacetate (R)-2-hydroxy-2-phenylacetic acid (R)-Mandelic acid (R)-mandelate (R)-mandelic acid D(-)-mandelate D-mandelate
sabiork.compound:2347 sabiorkM:2347 kegg.compound:C01983 keggC:C01983 IWYDHOAUDWTVEP-SSDOTTSWSA-M IWYDHOAUDWTVEP-SSDOTTSWSA-N	(R)-Mandelate (R)-2-Hydroxy-2-phenylacetate (R)-2-Hydroxy-2-phenylacetic acid (R)-Mandelic acid
metacyc.compound:CPD-121 metacycM:CPD-121 IWYDHOAUDWTVEP-SSDOTTSWSA-M	(R)-mandelate (R)-2-hydroxy-2-phenylacetate (R)-2-hydroxy-2-phenylacetic acid (R)-mandelic acid D(-)-mandelate D-mandelate
hmdb:HMDB0062635 IWYDHOAUDWTVEP-SSDOTTSWSA-N	(R)-mandelic Acid (-)-(R)-Mandelate (-)-(R)-Mandelic acid (-)-Mandelate (-)-Mandelic acid (-)-a-Hydroxyphenylacetate (-)-a-Hydroxyphenylacetic acid (-)-alpha-Hydroxyphenylacetate (-)-alpha-Hydroxyphenylacetic acid (-)-alpha-hydroxyphenylacetate (-)-alpha-hydroxyphenylacetic acid (2R)-2-Hydroxy-2-phenylacetate (2R)-2-Hydroxy-2-phenylacetic acid (2R)-2-hydroxy-2-phenylacetic acid (R)-2-Hydroxy-2-phenylacetate (R)-2-Hydroxy-2-phenylacetic acid (R)-Mandelate (R)-Mandelsaeure (R)-a-Hydroxybenzeneacetate (R)-a-Hydroxybenzeneacetic acid (R)-a-Hydroxyphenylacetate (R)-a-Hydroxyphenylacetic acid (R)-alpha-Hydroxybenzeneacetate (R)-alpha-Hydroxybenzeneacetic acid (R)-alpha-Hydroxyphenylacetate (R)-alpha-Hydroxyphenylacetic acid (R)-alpha-hydroxybenzeneacetate (R)-alpha-hydroxybenzeneacetic acid (R)-alpha-hydroxyphenylacetate (R)-alpha-hydroxyphenylacetic acid D(-)-Mandelate D(-)-Mandelic acid D-2-Phenylglycolate D-2-Phenylglycolic acid D-Mandelate D-Mandelic acid mandelic acid, (+-)-
CHEBI:17656 chebi:17656 IWYDHOAUDWTVEP-SSDOTTSWSA-N	(R)-mandelic acid (-)-(R)-mandelic acid (-)-alpha-hydroxyphenylacetic acid (-)-mandelic acid (2R)-2-hydroxy-2-phenylacetic acid (2R)-hydroxy(phenyl)acetic acid (R)-2-Hydroxy-2-phenylacetic acid (R)-MANDELIC ACID (R)-Mandelic acid (R)-Mandelsaeure (R)-alpha-hydroxybenzeneacetic acid (R)-alpha-hydroxyphenylacetic acid D(-)-mandelic acid D-2-phenylglycolic acid D-mandelic acid
hmdb:HMDB62635 chebi:11004 chebi:18688 chebi:18689 chebi:344 chebi:45338 keggC:M_C01983 seedM:M_cpd01357 vmhM:M_rmndlt	secondary/obsolete/fantasy identifier