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

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crotonobetaine

	Properties	Image
MNX_ID	MNXM730039
reference	chebi:17237
formula	C₇H₁₃NO₂
global charge	0
mol weight	143.186
InChIKey	GUYHPGUANSLONG-SNAWJCMRSA-N
InChI	InChI=1S/C7H13NO2/c1-8(2,3)6-4-5-7(9)10/h4-5H,6H2,1-3H3/b5-4+
SMILES	C[N+](C)(C)C/C=C/C(=O)[O-]

MNX internals

InChI (mnx)	InChI=1/C7H13NO2/c1-8(2,3)6-4-5-7(9)10/h4-5H,6H2,1-3H3/b5-4+
SMILES (mnx)	[CH3:1][N+:8]([CH3:2])([CH3:3])[CH2:6]/[CH:4]=[CH:5]/[C:7](=[O:9])[O-:10]

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	5
in models (compartimentalized)	2

Similar chemical compounds in external resources
Identifier	Description
CHEBI:17237 chebi:17237 GUYHPGUANSLONG-SNAWJCMRSA-N	crotonobetaine (2E)-4-(trimethylammonio)but-2-enoate (3-carboxyallyl)trimethylammonium hydroxide, inner salt (E)-4-(trimethylammonio)but-2-enoate Crotonsaeurebetain croton betaine crotonic acid betaine
kegg.compound:C04114 keggC:C04114 GUYHPGUANSLONG-SNAWJCMRSA-N	(E)-4-(Trimethylammonio)but-2-enoate Crotono-betaine Crotonobetaine
CHEBI:1774 chebi:1774 GUYHPGUANSLONG-SNAWJCMRSA-O	(E)-4-(trimethylammonio)but-2-enoic acid (2E)-3-carboxy-N,N,N-trimethylprop-2-en-1-aminium 4-(Trimethylammonio)but-2-enoate
seed.compound:cpd02543 seedM:cpd02543 GUYHPGUANSLONG-SNAWJCMRSA-N	4-(Trimethylammonio)but-2-enoate (3-carboxyallyl)trimethylammonium hydroxide, inner salt (E)-4-(Trimethylammonio)but-2-enoate (E)-4-(trimethylamino)but-2-enoate 4-(trimethylamino)but-2-enoate 4-(trimethylammonio)but-2-enoate Crotonobetaine croton betaine crotonic acid betaine crotono-betaine
metacyc.compound:CROTONO-BETAINE metacycM:CROTONO-BETAINE GUYHPGUANSLONG-SNAWJCMRSA-N	crotonobetaine (E)-4-(trimethylamino)but-2-enoate 4-(trimethylamino)but-2-enoate croton betaine crotonic acid betaine
chebi:20299 keggC:M_C04114 seedM:M_cpd02543	secondary/obsolete/fantasy identifier