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3-iodothyronamine

PropertiesImage
MNX_IDMNXM6817 Image of MNXM6817
referencechebi:231647
formulaC14H15INO2
global charge1
mol weight356.183
InChIKeyXIINYOJWNGOUPF-UHFFFAOYSA-O
InChIInChI=1S/C14H14INO2/c15-13-9-10(7-8-16)1-6-14(13)18-12-4-2-11(17)3-5-12/h1-6,9,17H,7-8,16H2/p+1
SMILES[NH3+]CCC1=CC(I)=C(OC2=CC=C(O)C=C2)C=C1
MNX internals
InChI (mnx)InChI=1/C14H14INO2/c15-13-9-10(7-8-16)1-6-14(13)18-12-4-2-11(17)3-5-12/h1-6,9,17H,7-8,16H2 Image of MNXM6817
SMILES (mnx)[CH:1]1=[CH:6][C:14]([O:18][C:12]2=[CH:5][CH:3]=[C:11]([OH:17])[CH:2]=[CH:4]2)=[C:13]([I:15])[CH:9]=[C:10]1[CH2:7][CH2:8][NH2:16]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)7
in models (compartimentalized) 3
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:231647
chebi:231647
XIINYOJWNGOUPF-UHFFFAOYSA-O 		3-iodothyronamine
2-[4-(4-hydroxyphenoxy)-3-iodophenyl]ethanaminium
3-iodothyronamine cation
3-iodothyronamine(1+)
hmdb:HMDB0060524
XIINYOJWNGOUPF-UHFFFAOYSA-N 		3-Iodothyronamine
3-iodothyronamine
4-[4-(2-aminoethyl)-2-iodophenoxy]phenol
T(1)AM CPD

CHEBI:89700
chebi:89700
XIINYOJWNGOUPF-UHFFFAOYSA-N 		3-iodothyronamine
3-T1AM
4-[4-(2-aminoethyl)-2-iodophenoxy]phenol
4-[4-(2-azanylethyl)-2-iodanyl-phenoxy]phenol
T1AM

metacyc.compound:CPD-11405
metacycM:CPD-11405
seed.compound:cpd22935
seedM:cpd22935
XIINYOJWNGOUPF-UHFFFAOYSA-O 		3-iodothyronamine
T1AM

hmdb:HMDB60524
seedM:M_cpd22935 		secondary/obsolete/fantasy identifier