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

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(2R)-3-(3,4-dihydroxyphenyl)lactate

	Properties	Image
MNX_ID	MNXM2781
reference	chebi:71492
formula	C₉H₉O₅
global charge	-1
mol weight	197.166
InChIKey	PAFLSMZLRSPALU-MRVPVSSYSA-M
InChI	InChI=1S/C9H10O5/c10-6-2-1-5(3-7(6)11)4-8(12)9(13)14/h1-3,8,10-12H,4H2,(H,13,14)/p-1/t8-/m1/s1
SMILES	O=C([O-])[C@H](O)CC1=CC(O)=C(O)C=C1

MNX internals

InChI (mnx)	InChI=1/C9H10O5/c10-6-2-1-5(3-7(6)11)4-8(12)9(13)14/h1-3,8,10-12H,4H2,(H,13,14)/t8-/m1/s1
SMILES (mnx)	[CH:1]1=[CH:2][C:6]([OH:10])=[C:7]([OH:11])[CH:3]=[C:5]1[CH2:4][C@H:8]([C:9](=[O:13])[OH:14])[OH:12]

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	5
in models (compartimentalized)	2

Similar chemical compounds in external resources
Identifier	Description
CHEBI:71492 chebi:71492 PAFLSMZLRSPALU-MRVPVSSYSA-M	(2R)-3-(3,4-dihydroxyphenyl)lactate (2R)-3-(3,4-dihydroxyphenyl)-2-hydroxypropanoate
CHEBI:71572 chebi:71572 PAFLSMZLRSPALU-MRVPVSSYSA-N	(2R)-3-(3,4-dihydroxyphenyl)lactic acid (2R)-3-(3,4-dihydroxyphenyl)-2-hydroxypropanoic acid
kegg.compound:C22038 keggC:C22038 PAFLSMZLRSPALU-MRVPVSSYSA-N	(R)-3-(3,4-Dihydroxyphenyl)lactate
metacyc.compound:CPD-6982 metacycM:CPD-6982 PAFLSMZLRSPALU-MRVPVSSYSA-M	(R)-3-(3,4-dihydroxyphenyl)lactate (2R)-3-(3,4-dihydroxyphenyl)-2-hydroxypropanoate R(+)-(3,4-dihydroxyphenyl)lactic acid
kegg.compound:C01207 keggC:C01207 PAFLSMZLRSPALU-UHFFFAOYSA-N	3-(3,4-Dihydroxyphenyl)lactate 3,4-Dihydroxyphenyllactic acid
seed.compound:cpd00887 seedM:cpd00887 PAFLSMZLRSPALU-UHFFFAOYSA-M	3-(3,4-Dihydroxyphenyl)lactate 3,4-Dihydroxyphenyllactic acid 3-(3,4-dihydroxyphenyl)-2-hydroxy-propanoic acid 3-(3,4-dihydroxyphenyl)lactate
hmdb:HMDB0003503 PAFLSMZLRSPALU-UHFFFAOYSA-N	3-(3,4-Dihydroxyphenyl)lactic acid (3,4-Dihydroxyphenyl)lactic acid 2-Hydroxy-3-(3',4'-dihydroxyphenyl)propanoic acid 2-Hydroxy-3-(3,4-dihydroxyphenyl)propanoate 2-Hydroxy-3-(3,4-dihydroxyphenyl)propanoic acid 3,4-Dihydroxyphenyllactate 3,4-Dihydroxyphenyllactic acid 3,4-Dihydroxyphenyllactic acid, (+-)-isomer 3,4-Dihydroxyphenyllactic acid, (R)-isomer 3,4-Dihydroxyphenyllactic acid, monosodium salt 3,4-Dihydroxyphenyllactic acid, monosodium salt, (+-)-isomer 3,4-Dihydroxyphenyllactic acid, monosodium salt, (R)-isomer 3-(3,4-Dihydroxyphenyl)lactate 3-(3,4-dihydroxyphenyl)-2-hydroxypropanoic acid DL-b-(3,4-Dihydroxyphenyl)lactic acid DL-beta-(3,4-Dihydroxyphenyl)lactic acid Danshensu Salvianic acid a sodium a-Hydroxyhydrocaffeic acid alpha-Hydroxyhydrocaffeate alpha-Hydroxyhydrocaffeic acid danshensu
metacyc.compound:3-34-DIHYDROXYPHENYLLACTATE metacycM:3-34-DIHYDROXYPHENYLLACTATE PAFLSMZLRSPALU-UHFFFAOYSA-M	3-(3,4-dihydroxyphenyl)lactate 3-(3,4-dihydroxyphenyl)-2-hydroxy-propanoic acid
CHEBI:58279 chebi:58279 PAFLSMZLRSPALU-UHFFFAOYSA-M	3-(3,4-dihydroxyphenyl)lactate 3-(3,4-dihydroxyphenyl)-2-hydroxypropanoate 3-(3,4-dihydroxyphenyl)lactate anion 3-(3,4-dihydroxyphenyl)lactate(1-)
CHEBI:17807 chebi:17807 PAFLSMZLRSPALU-UHFFFAOYSA-N	3-(3,4-dihydroxyphenyl)lactic acid 3-(3,4-Dihydroxyphenyl)lactate 3-(3,4-dihydroxyphenyl)-2-hydroxypropanoic acid
seed.compound:cpd24677 seedM:cpd24677 PAFLSMZLRSPALU-MRVPVSSYSA-M	R(+)-3,4-dihydroxyphenyllactate (2R)-3-(3,4-dihydroxyphenyl)-2-hydroxypropanoate (R)-3-(3,4-dihydroxyphenyl)lactate R(+)-(3,4-dihydroxyphenyl)lactic acid R(+)-3,4-dihydroxyphenyllactic acid
envipath:...e20721e9dfcc envipathM:...e20721e9dfcc PAFLSMZLRSPALU-UHFFFAOYSA-M	compound 0062909
hmdb:HMDB03503 chebi:11720 chebi:1423 chebi:19925 keggC:M_C01207 keggC:M_C22038 seedM:M_cpd00887 seedM:M_cpd24677	secondary/obsolete/fantasy identifier