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4-(3-methylbut-2-enyl)-L-abrine

PropertiesImage
MNX_IDMNXM10185 Image of MNXM10185
referencechebi:67248
formulaC17H22N2O2
global charge0
mol weight286.375
InChIKeyQQMWUGXCTSAHLX-HNNXBMFYSA-N
InChIInChI=1S/C17H22N2O2/c1-11(2)7-8-12-5-4-6-14-16(12)13(10-19-14)9-15(18-3)17(20)21/h4-7,10,15,18-19H,8-9H2,1-3H3,(H,20,21)/t15-/m0/s1
SMILESC[NH2+][C@@H](CC1=CNC2=CC=CC(CC=C(C)C)=C12)C(=O)[O-]
MNX internals
InChI (mnx)InChI=1/C17H22N2O2/c1-11(2)7-8-12-5-4-6-14-16(12)13(10-19-14)9-15(18-3)17(20)21/h4-7,10,15,18-19H,8-9H2,1-3H3,(H,20,21)/t15-/m0/s1 Image of MNXM10185
SMILES (mnx)[CH3:1][C:11]([CH3:2])=[CH:7][CH2:8][C:12]1=[C:16]2[C:13]([CH2:9][C@@H:15]([C:17](=[O:20])[OH:21])[NH:18][CH3:3])=[CH:10][NH:19][C:14]2=[CH:6][CH:4]=[CH:5]1
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)5
in models (compartimentalized) 1
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:67248
chebi:67248
QQMWUGXCTSAHLX-HNNXBMFYSA-N 		4-(3-methylbut-2-enyl)-L-abrine
(2S)-2-(methylazaniumyl)-3-[4-(3-methylbut-2-en-1-yl)-1H-indol-3-yl]propanoate
4-(3-methylbut-2-enyl)-L-abrine zwitterion
4-dimethylallyl-L-abrine
4-dimethylallyl-L-abrine zwitterion

CHEBI:68464
chebi:68464
QQMWUGXCTSAHLX-HNNXBMFYSA-N 		4-(3-methylbut-2-enyl)-L-abrine
4-dimethylallyl-L-abrine
N-methyl-4-(3-methylbut-2-en-1-yl)-L-tryptophan

seed.compound:cpd23367
seedM:cpd23367
QQMWUGXCTSAHLX-HNNXBMFYSA-N 		4-DMA L-abrine
(2S)-2-(methylaminio)-3-[4-(3-methylbut-2-en-1-yl)-1H-indol-3-yl]propanoate
4-(3-Methylbut-2-enyl)-L-abrine
4-(3-methylbut-2-enyl)-L-abrine
4-Dimethylallyl-L-abrine
4-dimethylallyl-L-abrine

kegg.compound:C20410
keggC:C20410
QQMWUGXCTSAHLX-HNNXBMFYSA-N 		4-Dimethylallyl-L-abrine
4-(3-Methylbut-2-enyl)-L-abrine
4-Prenyl-L-abrine

metacyc.compound:CPD-12352
metacycM:CPD-12352
QQMWUGXCTSAHLX-HNNXBMFYSA-M 		4-prenyl-L-abrine
(2S)-2-(methylaminio)-3-[4-(3-methylbut-2-en-1-yl)-1H-indol-3-yl]propanoate
4-(3-methylbut-2-enyl)-L-abrine
4-DMA L-abrine
4-dimethylallyl-L-abrine

CHEBI:204735
chebi:204735
QQMWUGXCTSAHLX-HNNXBMFYSA-N 		N-methyl-4-dimethylallyltryptophan
2-(methylamino)-3-[4-(3-methylbut-2-enyl)-1H-indol-3-yl]propanoic acid

keggC:M_C20410
seedM:M_cpd23367 		secondary/obsolete/fantasy identifier