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

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3-(3,5-diiodo-4-hydroxyphenyl)lactate

	Properties	Image
MNX_ID	MNXM4322
reference	chebi:57647
formula	C₉H₆I₂O₄
global charge	-2
mol weight	431.951
InChIKey	ZPJHINFPRQWKIH-UHFFFAOYSA-L
InChI	InChI=1S/C9H8I2O4/c10-5-1-4(2-6(11)8(5)13)3-7(12)9(14)15/h1-2,7,12-13H,3H2,(H,14,15)/p-2
SMILES	O=C([O-])C(O)CC1=CC(I)=C([O-])C(I)=C1

MNX internals

InChI (mnx)	InChI=1/C9H8I2O4/c10-5-1-4(2-6(11)8(5)13)3-7(12)9(14)15/h1-2,7,12-13H,3H2,(H,14,15)/t7?
SMILES (mnx)	[CH:1]1=[C:4]([CH2:3][CH:7]([C:9](=[O:14])[OH:15])[OH:12])[CH:2]=[C:6]([I:11])[C:8]([OH:13])=[C:5]1[I:10]

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:57647 chebi:57647 ZPJHINFPRQWKIH-UHFFFAOYSA-L	3-(3,5-diiodo-4-hydroxyphenyl)lactate 2-hydroxy-3-(4-hydroxy-3,5-diiodophenyl)propanoate 3-(4-hydroxy-3,5-diiodophenyl)lactate 3-(4-hydroxy-3,5-diiodophenyl)lactate anion
sabiork.compound:7264 sabiorkM:7264 kegg.compound:C04367 keggC:C04367 ZPJHINFPRQWKIH-UHFFFAOYSA-N	3-(3,5-Diiodo-4-hydroxyphenyl)lactate
hmdb:HMDB0059636 ZPJHINFPRQWKIH-UHFFFAOYSA-N	3-(3,5-Diiodo-4-hydroxyphenyl)lactate 2-hydroxy-3-(4-hydroxy-3,5-diiodophenyl)propanoic acid 3-(3,5-Diiodo-4-hydroxyphenyl)lactic acid 3-(3,5-diiodo-4-Hydroxyphenyl)lactate 3-(4-Hydroxy-3,5-diiodophenyl)lactate
seed.compound:cpd02673 seedM:cpd02673 ZPJHINFPRQWKIH-UHFFFAOYSA-M	3-(3,5-Diiodo-4-hydroxyphenyl)lactate 3-(3,5-diiodo-4-hydroxyphenyl)lactate beta-(3,5-diiodo-4-hydroxyphenyl)lactate diiodo-4-hydroxyphenyl-lactate
CHEBI:16122 chebi:16122 ZPJHINFPRQWKIH-UHFFFAOYSA-N	3-(4-hydroxy-3,5-diiodophenyl)lactic acid 2-hydroxy-3-(4-hydroxy-3,5-diiodophenyl)propanoic acid 3-(3,5-Diiodo-4-hydroxyphenyl)lactate
metacyc.compound:DIIODO-HYDROXYPHENYL-LACTATE metacycM:DIIODO-HYDROXYPHENYL-LACTATE ZPJHINFPRQWKIH-UHFFFAOYSA-L	diiodo-4-hydroxyphenyl-lactate 3-(3,5-diiodo-4-hydroxyphenyl)lactate beta-(3,5-diiodo-4-hydroxyphenyl)lactate
hmdb:HMDB59636 chebi:11722 chebi:1426 chebi:19927 keggC:M_C04367 seedM:M_cpd02673	secondary/obsolete/fantasy identifier