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

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alanopine

	Properties	Image
MNX_ID	MNXM4264
reference	metacycM:CPD-310
formula	C₆H₁₀NO₄
global charge	-1
mol weight	160.149
InChIKey	FIOHTMQGSFVHEZ-WUCPZUCCSA-M
InChI	InChI=1S/C6H11NO4/c1-3(5(8)9)7-4(2)6(10)11/h3-4,7H,1-2H3,(H,8,9)(H,10,11)/p-1/t3-,4?/m0/s1
SMILES	CC([NH2+][C@@H](C)C(=O)[O-])C(=O)[O-]

MNX internals

InChI (mnx)	InChI=1/C6H11NO4/c1-3(5(8)9)7-4(2)6(10)11/h3-4,7H,1-2H3,(H,8,9)(H,10,11)/t3-,4?/m0/s1
SMILES (mnx)	[CH3:1][C@@H:3]([C:5](=[O:8])[OH:9])[NH:7][CH:4]([CH3:2])[C:6](=[O:10])[OH:11]

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
metacyc.compound:CPD-310 metacycM:CPD-310 FIOHTMQGSFVHEZ-WUCPZUCCSA-M	alanopine 2,2'-iminodipropanoate meso-N-(1-carboxyethyl)-alanine
hmdb:HMDB0033747 FIOHTMQGSFVHEZ-UHFFFAOYSA-N	(+/-)-2,2'-Iminobispropanoic acid (+/-)-2,2'-iminobispropanoate (+/-)-form 2,2'-Iminobispropanoic acid 2,2'-Iminodipropanoate 2,2'-Iminodipropanoic acid 2,2'-Iminodipropionic acid 2-[(1-carboxyethyl)amino]propanoic acid Alanopine Alanopine, (L)-isomer Meso-2,2'-iminobispropanoate Meso-N-(1-carboxyethyl)-alanine N-(1-Carboxyethyl)-L-alanine alanopine
CHEBI:58934 chebi:58934 FIOHTMQGSFVHEZ-UHFFFAOYSA-M	2,2'-iminodipropanoate 2,2'-ammoniodipropanoate 2,2'-azaniumyldipropanoate 2,2'-iminodipropanoate anion 2,2'-iminodipropanoate(1-) 2,2'-iminodipropionate(1-) 2-[(1-carboxylatoethyl)azaniumyl]propanoate
CHEBI:17560 chebi:17560 FIOHTMQGSFVHEZ-UHFFFAOYSA-L	2,2'-iminodipropanoate 2,2'-azanediyldipropanoate
CHEBI:857 chebi:857 FIOHTMQGSFVHEZ-UHFFFAOYSA-N	2,2'-iminodipropanoic acid 2,2'-Iminodipropanoate 2,2'-azanediyldipropanoic acid Alanopine
seed.compound:cpd02051 seedM:cpd02051 FIOHTMQGSFVHEZ-UHFFFAOYSA-M	Alanopine 2,2'-Iminodipropanoate 2,2'-iminodipropanoate alanopine meso-N-(1-Carboxyethyl)-alanine meso-N-(1-carboxyethyl)-alanine
kegg.compound:C03210 keggC:C03210 FIOHTMQGSFVHEZ-UHFFFAOYSA-N	Alanopine 2,2'-Iminodipropanoate meso-N-(1-Carboxyethyl)-alanine
vmhM:alnpn vmhmetabolite:alnpn FIOHTMQGSFVHEZ-UHFFFAOYSA-N	Alanopine 2-[(1-carboxyethyl)amino]propanoic acid
hmdb:HMDB33747 chebi:11404 chebi:19284 keggC:M_C03210 seedM:M_cpd02051 vmhM:M_alnpn	secondary/obsolete/fantasy identifier