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

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(2R)-2-hydroxy-3-(4-hydroxyphenyl)propanoate

	Properties	Image
MNX_ID	MNXM988
reference	chebi:10980
formula	C₉H₉O₄
global charge	-1
mol weight	181.167
InChIKey	JVGVDSSUAVXRDY-MRVPVSSYSA-M
InChI	InChI=1S/C9H10O4/c10-7-3-1-6(2-4-7)5-8(11)9(12)13/h1-4,8,10-11H,5H2,(H,12,13)/p-1/t8-/m1/s1
SMILES	O=C([O-])[C@H](O)CC1=CC=C(O)C=C1

MNX internals

InChI (mnx)	InChI=1/C9H10O4/c10-7-3-1-6(2-4-7)5-8(11)9(12)13/h1-4,8,10-11H,5H2,(H,12,13)/t8-/m1/s1
SMILES (mnx)	[CH:1]1=[CH:3][C:7]([OH:10])=[CH:4][CH:2]=[C:6]1[CH2:5][C@H:8]([C:9](=[O:12])[OH:13])[OH:11]

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	8
in models (compartimentalized)	9

Similar chemical compounds in external resources
Identifier	Description
CHEBI:10980 chebi:10980 JVGVDSSUAVXRDY-MRVPVSSYSA-M	(2R)-2-hydroxy-3-(4-hydroxyphenyl)propanoate (R)-3-(4-Hydroxyphenyl)lactate (R)-3-(4-hydroxyphenyl)lactate
kegg.compound:C03964 keggC:C03964 vmhM:r34hpl vmhmetabolite:r34hpl JVGVDSSUAVXRDY-MRVPVSSYSA-M JVGVDSSUAVXRDY-MRVPVSSYSA-N	(R)-3-(4-Hydroxyphenyl)lactate
seed.compound:cpd02461 seedM:cpd02461 JVGVDSSUAVXRDY-MRVPVSSYSA-M	(R)-3-(4-Hydroxyphenyl)lactate (R)-3-(4-hydroxyphenyl)lactate (R+)-3-(4-hydroxyphenyl)lactate R(+)-4-hydroxyphenyllactate R(+)-4-hydroxyphenyllactic acid
vmhM:r34hpp vmhmetabolite:r34hpp JVGVDSSUAVXRDY-MRVPVSSYSA-N	(R)-3-(4-Hydroxyphenyl)propionate
metacyc.compound:CPD-2222 metacycM:CPD-2222 JVGVDSSUAVXRDY-MRVPVSSYSA-M	(R)-3-(4-hydroxyphenyl)lactate (R+)-3-(4-hydroxyphenyl)lactate R(+)-4-hydroxyphenyllactate R(+)-4-hydroxyphenyllactic acid p-hydroxyphenyllactate
CHEBI:16003 chebi:16003 JVGVDSSUAVXRDY-MRVPVSSYSA-N	(R)-3-(4-hydroxyphenyl)lactic acid (2R)-2-hydroxy-3-(4-hydroxyphenyl)propanoic acid
hmdb:HMDB0303993 JVGVDSSUAVXRDY-MRVPVSSYSA-M	(R+)-3-(4-hydroxyphenyl)lactate (2R)-2-Hydroxy-3-(4-hydroxyphenyl)propanoate (2R)-2-Hydroxy-3-(4-hydroxyphenyl)propanoic acid (R)-3-(4-Hydroxyphenyl)lactic acid (R+)-3-(4-hydroxyphenyl)lactic acid 4-[(2R)-2-carboxy-2-hydroxyethyl]benzen-1-olate 4-[(2R)-2-carboxy-2-hydroxyethyl]benzenolate P-Hydroxyphenyllactate R(+)-4-Hydroxyphenyllactate R(+)-4-Hydroxyphenyllactic acid
CHEBI:36659 chebi:36659 JVGVDSSUAVXRDY-UHFFFAOYSA-M	2-hydroxy-3-(4-hydroxyphenyl)propanoate 2-Hydroxy-3-(4-hydroxyphenyl)propanoate 3-(4-Hydroxyphenyl)lactate 3-(4-hydroxyphenyl)lactate 4-Hydroxyphenyllactate p-Hydroxyphenyllactate
bigg.metabolite:34hpl biggM:34hpl JVGVDSSUAVXRDY-UHFFFAOYSA-M	3 4 Hydroxyphenyl lactate
kegg.compound:C03672 keggC:C03672 JVGVDSSUAVXRDY-UHFFFAOYSA-N	3-(4-Hydroxyphenyl)lactate 2-Hydroxy-3-(4-hydroxyphenyl)propanoate 4-Hydroxyphenyllactate p-Hydroxyphenyllactate
sabiork.compound:6782 sabiorkM:6782 JVGVDSSUAVXRDY-UHFFFAOYSA-M	3-(4-Hydroxyphenyl)lactate 4-Hydroxyphenyllactate p-Hydroxyphenyllactate
metacyc.compound:4-HYDROXYPHENYLLACTATE metacycM:4-HYDROXYPHENYLLACTATE JVGVDSSUAVXRDY-UHFFFAOYSA-M	3-(4-hydroxyphenyl)lactate 2-hydroxy-3-(4-hydroxyphenyl)propanoate 3-(4-hydroxyphenyl)lactic acid 4-hydroxyphenyllactate p-hydroxyphenyllactate p-hydroxyphenyllactic acid
vmhM:34hpl vmhmetabolite:34hpl JVGVDSSUAVXRDY-UHFFFAOYSA-M	3-(4-hydroxyphenyl)lactate 2-hydroxy-3-(4-hydroxyphenyl)propanoic acid
CHEBI:17385 chebi:17385 JVGVDSSUAVXRDY-UHFFFAOYSA-N	3-(4-hydroxyphenyl)lactic acid 2-Hydroxy-3-(4-hydroxyphenyl)propanoate 2-Hydroxy-3-(p-hydroxyphenyl)propionic acid 2-hydroxy-3-(4-hydroxyphenyl)propanoic acid 4-Hydroxyphenyllactic acid DL-p-Hydroxyphenyllactic acid beta-(4-Hydroxyphenyl)lactic acid beta-(p-Hydroxyphenyl)lactic acid p-Hydroxyphenyl lactic acid
seed.compound:cpd02305 seedM:cpd02305 JVGVDSSUAVXRDY-UHFFFAOYSA-M	HPL 2-Hydroxy-3-(4-hydroxyphenyl)propanoate 3-(4-Hydroxyphenyl)lactate 3-(4-hydroxyphenyl)lactate) 34hpl 4-Hydroxyphenyllactate 4-hydroxyphenyllactate 4-hydroxyphenyllactic acid p-Hydroxyphenyllactate p-hydroxyphenyllactate
hmdb:HMDB0000755 JVGVDSSUAVXRDY-UHFFFAOYSA-N	Hydroxyphenyllactic acid (RS)-3-(4-Hydroxyphenyl)lactate (RS)-3-(4-Hydroxyphenyl)lactic acid 2-Hydroxy-3-(4'-hydroxyphenyl)propanoic acid 2-Hydroxy-3-(4-hydroxyphenyl)propanoate 2-Hydroxy-3-(4-hydroxyphenyl)propanoic acid 2-Hydroxy-3-(p-hydroxyphenyl)propionate 2-Hydroxy-3-(p-hydroxyphenyl)propionic acid 2-Hydroxyphloretate 2-hydroxy-3-(4-hydroxyphenyl)propanoic acid 3-(4-Hydroxyphenyl)-DL-lactate 3-(4-Hydroxyphenyl)-DL-lactic acid 3-(4-Hydroxyphenyl)lactate 3-(p-Hydroxyphenyl)-lactate 3-(p-Hydroxyphenyl)-lactic acid 4-Hydroxyphenyllactate 4-Hydroxyphenyllactic acid 4-Hydroxyphenyllactic acid, (DL)-isomer DL-3-(4-Hydroxyphenyl)lactate DL-3-(4-Hydroxyphenyl)lactic acid DL-p-Hydroxyphenyllactate DL-p-Hydroxyphenyllactic acid HPLA Hydroxyphenyllactate Para-hydroxyphenyllactic acid a,4-Dihydroxybenzenepropanoate a,4-Dihydroxybenzenepropanoic acid b-(4-Hydroxyphenyl)lactate b-(4-Hydroxyphenyl)lactic acid b-(p-Hydroxyphenyl)-DL-lactate b-(p-Hydroxyphenyl)-DL-lactic acid b-(p-Hydroxyphenyl)lactate b-(p-Hydroxyphenyl)lactic acid beta-(4-Hydroxyphenyl)lactate beta-(4-Hydroxyphenyl)lactic acid beta-(4-hydroxyphenyl)lactate beta-(4-hydroxyphenyl)lactic acid beta-(p-Hydroxyphenyl)-DL-lactate beta-(p-Hydroxyphenyl)-DL-lactic acid beta-(p-Hydroxyphenyl)lactate beta-(p-Hydroxyphenyl)lactic acid beta-(p-hydroxyphenyl)lactate beta-(p-hydroxyphenyl)lactic acid hydroxyphenyllactic acid p-Hydroxyphenyl lactate p-Hydroxyphenyl lactic acid p-Hydroxyphenyllactate p-Hydroxyphenyllactic acid
envipath:...511777277579 envipathM:...511777277579 JVGVDSSUAVXRDY-UHFFFAOYSA-M	compound 0062895
hmdb:HMDB00755 chebi:1117 chebi:11726 chebi:1430 chebi:18660 chebi:19598 chebi:19600 chebi:19932 chebi:28403 chebi:319 biggM:M_34hpl keggC:M_C03672 keggC:M_C03964 seedM:M_cpd02305 seedM:M_cpd02461 vmhM:M_34hpl vmhM:M_r34hpl vmhM:M_r34hpp	secondary/obsolete/fantasy identifier