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

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3-methylcrotonyl glycine

	Properties	Image
MNX_ID	MNXM36641
reference	chebi:68499
formula	C₇H₁₁NO₃
global charge	0
mol weight	157.169
InChIKey	PFWQSHXPNKRLIV-UHFFFAOYSA-N
InChI	InChI=1S/C7H11NO3/c1-5(2)3-6(9)8-4-7(10)11/h3H,4H2,1-2H3,(H,8,9)(H,10,11)
SMILES	CC(C)=CC(=O)NCC(=O)O

MNX internals

InChI (mnx)	InChI=1/C7H11NO3/c1-5(2)3-6(9)8-4-7(10)11/h3H,4H2,1-2H3,(H,8,9)(H,10,11)
SMILES (mnx)	[CH3:1][C:5]([CH3:2])=[CH:3][C:6](=[N:8][CH2:4][C:7](=[O:10])[OH:11])[OH:9]

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	3
in models (compartimentalized)	4

Similar chemical compounds in external resources
Identifier	Description
CHEBI:68499 chebi:68499 PFWQSHXPNKRLIV-UHFFFAOYSA-N	3-methylcrotonyl glycine N-(3-methylbut-2-enoyl)glycine beta-Methylcrotonylglycine
kegg.compound:C20828 keggC:C20828 PFWQSHXPNKRLIV-UHFFFAOYSA-N	3-Methylcrotonylglycine
hmdb:HMDB0000459 PFWQSHXPNKRLIV-UHFFFAOYSA-N	3-Methylcrotonylglycine (3-methylbut-2-enamido)acetic acid 2-(3-methylbut-2-enamido)acetic acid 3-Methylcrotonyl glycine 3-Methylcrotonyl-glycine 3-Methylcrotonylglycin N-(3-Methyl-1-oxo-2-butenyl)-glycine b-Methylcrotonylglycine beta-Methylcrotonylglycine beta-methylcrotonylglycine
bigg.metabolite:CE2026 biggM:CE2026 PFWQSHXPNKRLIV-UHFFFAOYSA-M	3-methylcrotonoylglycine
vmhM:CE2026 vmhmetabolite:CE2026 PFWQSHXPNKRLIV-UHFFFAOYSA-M	3-methylcrotonoylglycine 2-(3-methylbut-2-enamido)acetic acid
seed.compound:cpd31613 seedM:cpd31613 PFWQSHXPNKRLIV-UHFFFAOYSA-M	3-methylcrotonylglycine beta-methylcrotonylglycine
metacyc.compound:CPD66-102 metacycM:CPD66-102 PFWQSHXPNKRLIV-UHFFFAOYSA-M	beta-methylcrotonylglycine 3-methylcrotonylglycine
hmdb:HMDB00459 biggM:M_CE2026 keggC:M_C20828 seedM:M_cpd31613 vmhM:M_CE2026	secondary/obsolete/fantasy identifier