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

Feedback

4-[1-hydroxy-2-(methylamino)ethyl]benzene-1,2-diol

	Properties	Image
MNX_ID	MNXM1207
reference	chebi:194548
formula	C₉H₁₃NO₃
global charge	0
mol weight	183.207
InChIKey	UCTWMZQNUQWSLP-UHFFFAOYSA-N
InChI	InChI=1S/C9H13NO3/c1-10-5-9(13)6-2-3-7(11)8(12)4-6/h2-4,9-13H,5H2,1H3
SMILES	CNCC(O)C1=CC=C(O)C(O)=C1

MNX internals

InChI (mnx)	InChI=1/C9H13NO3/c1-10-5-9(13)6-2-3-7(11)8(12)4-6/h2-4,9-13H,5H2,1H3/t9?
SMILES (mnx)	[CH3:1][NH:10][CH2:5][CH:9]([C:6]1=[CH:4][C:8]([OH:12])=[C:7]([OH:11])[CH:3]=[CH:2]1)[OH:13]

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:194548 chebi:194548 UCTWMZQNUQWSLP-UHFFFAOYSA-N	4-[1-hydroxy-2-(methylamino)ethyl]benzene-1,2-diol
sabiork.compound:22769 sabiorkM:22769 UCTWMZQNUQWSLP-UHFFFAOYSA-N	DL-Adrenaline
hmdb:HMDB0062515 UCTWMZQNUQWSLP-UHFFFAOYSA-N	Oxidized-adrenal-ferredoxin (+-)-Adrenaline (+-)-Epinephrine (+-)-adrenaline 2-(Methylamino)-1-(3,4-dihydroxyphenyl)ethanol 4-[1-hydroxy-2-(methylamino)ethyl]benzene-1,2-diol Adrenaline hydrochloride, racemic mixture Adrenaline, racemic Adrenaline, racemic mixture Bird brand OF racepinefrine hydrochloride DL-Adrenaline Epinephrine hydrochloride, racemic mixture Epinephrine racemic Epinephrine, racemic Epinephrine, racemic mixture Hydrochloride, racepinephrine Micronefrin Micronephrine Mixture adrenaline, racemic Mixture epinephrine, racemic Racemic adrenaline Racemic epinephrine Racemic mixture adrenaline Racemic mixture epinephrine Racepinefrina Racepinefrine Racepinefrinum Racepinephrine Racepinephrine hydrochloride Vaponefrin
kegg.drug:D05688 keggD:D05688 UCTWMZQNUQWSLP-UHFFFAOYSA-N	Racepinephrine (USP/INN)
CHEBI:33568 chebi:33568	adrenaline (+-)-adrenaline (+-)-epinephrine 2-(methylamino)-1-(3,4-dihydroxyphenyl)ethanol dl-adrenaline epinephrine racemic rac-4-[1-hydroxy-2-(methylamino)ethyl]benzene-1,2-diol rac-adrenaline racemic adrenaline racepinefrina racepinefrine racepinefrinum
hmdb:HMDB62515 keggD:M_D05688	secondary/obsolete/fantasy identifier