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(2S,2'S)-Pyrosaccharopine

PropertiesImage
MNX_IDMNXM114998 Image of MNXM114998
referencechebi:173839
formulaC11H18N2O5
global charge0
mol weight258.274
InChIKeyKZGLERZNBKMMPP-UHFFFAOYSA-N
InChIInChI=1S/C11H18N2O5/c12-7(10(15)16)3-1-2-6-13-8(11(17)18)4-5-9(13)14/h7-8H,1-6,12H2,(H,15,16)(H,17,18)
SMILESNC(CCCCN1C(=O)CCC1C(=O)O)C(=O)O
MNX internals
InChI (mnx)InChI=1/C11H18N2O5/c12-7(10(15)16)3-1-2-6-13-8(11(17)18)4-5-9(13)14/h7-8H,1-6,12H2,(H,15,16)(H,17,18)/t7?,8? Image of MNXM114998
SMILES (mnx)[CH2:1]([CH2:2][CH2:6][N:13]1[CH:8]([C:11](=[O:17])[OH:18])[CH2:4][CH2:5][C:9]1=[O:14])[CH2:3][CH:7]([C:10](=[O:15])[OH:16])[NH2:12]
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:173839
chebi:173839
KZGLERZNBKMMPP-UHFFFAOYSA-N 		(2S,2'S)-Pyrosaccharopine
1-(5-amino-5-carboxypentyl)-5-oxopyrrolidine-2-carboxylic acid
hmdb:HMDB0038676
KZGLERZNBKMMPP-UHFFFAOYSA-N 		(2S,2'S)-Pyrosaccharopine
1-(5-Amino-5-carboxypentyl)-5-oxopyrrolidine-2-carboxylate
1-(5-amino-5-carboxypentyl)-5-oxopyrrolidine-2-carboxylic acid

hmdb:HMDB38676 		secondary/obsolete/fantasy identifier