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(S)-beta-alanopine

MNXM3765 is deprecated and here replaced by MNXM733943
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM733943 Image of MNXM733943
referencechebi:50532
formulaC6H11NO4
global charge0
mol weight161.157
InChIKeyOAWHMSFCLIYBHE-BYPYZUCNSA-N
InChIInChI=1S/C6H11NO4/c1-4(6(10)11)7-3-2-5(8)9/h4,7H,2-3H2,1H3,(H,8,9)(H,10,11)/t4-/m0/s1
SMILESC[C@H](NCCC(=O)O)C(=O)O
MNX internals
InChI (mnx)InChI=1/C6H11NO4/c1-4(6(10)11)7-3-2-5(8)9/h4,7H,2-3H2,1H3,(H,8,9)(H,10,11)/t4-/m0/s1 Image of MNXM733943
SMILES (mnx)[CH3:1][C@@H:4]([C:6](=[O:10])[OH:11])[NH:7][CH2:3][CH2:2][C:5](=[O:8])[OH:9]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)0
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:50532
chebi:50532
OAWHMSFCLIYBHE-BYPYZUCNSA-N 		(S)-beta-alanopine
(2S)-2-[(2-carboxyethyl)amino]propanoic acid
N-(2-carboxyethyl)-L-alanine

vmhM:balnpn
vmhmetabolite:balnpn
OAWHMSFCLIYBHE-UHFFFAOYSA-N 		beta-Alanopine

CHEBI:15337
chebi:15337
OAWHMSFCLIYBHE-UHFFFAOYSA-N 		beta-alanopine
2-[(2-carboxyethyl)amino]propanoic acid
N-(2-carboxyethyl)alanine
beta-Alanopine

chebi:10345
chebi:12390
chebi:22824
vmhM:M_balnpn 		secondary/obsolete/fantasy identifier