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2'-deoxymugineate

MNXM1166 is deprecated and here replaced by MNXM727132
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM727132 Image of MNXM727132
referencechebi:58487
formulaC12H19N2O7
global charge-1
mol weight303.291
InChIKeyCUZKLRTTYZOCSD-CIUDSAMLSA-M
InChIInChI=1S/C12H20N2O7/c15-9(12(20)21)1-4-13-7(10(16)17)2-5-14-6-3-8(14)11(18)19/h7-9,13,15H,1-6H2,(H,16,17)(H,18,19)(H,20,21)/p-1/t7-,8-,9-/m0/s1
SMILESO=C([O-])[C@H](CC[NH+]1CC[C@H]1C(=O)[O-])[NH2+]CC[C@H](O)C(=O)[O-]
MNX internals
InChI (mnx)InChI=1/C12H20N2O7/c15-9(12(20)21)1-4-13-7(10(16)17)2-5-14-6-3-8(14)11(18)19/h7-9,13,15H,1-6H2,(H,16,17)(H,18,19)(H,20,21)/t7-,8-,9-/m0/s1 Image of MNXM727132
SMILES (mnx)[CH2:1]([CH2:4][NH:13][C@@H:7]([CH2:2][CH2:5][N:14]1[CH2:6][CH2:3][C@H:8]1[C:11](=[O:18])[OH:19])[C:10](=[O:16])[OH:17])[C@@H:9]([C:12](=[O:20])[OH:21])[OH:15]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)8
in models (compartimentalized) 2
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:58487
chebi:58487
CUZKLRTTYZOCSD-CIUDSAMLSA-M 		2'-deoxymugineate
(2S)-1-[(3S)-3-carboxylato-3-{[(3S)-3-carboxylato-3-hydroxypropyl]ammonio}propyl]azetidinium-2-carboxylate

kegg.compound:C15485
keggC:C15485
CUZKLRTTYZOCSD-CIUDSAMLSA-N 		2'-Deoxymugineic acid

seed.compound:cpd11172
seedM:cpd11172
CUZKLRTTYZOCSD-CIUDSAMLSA-M 		2'-Deoxymugineic acid
1-azetidinebutanoic acid
2'-deoxymugineate
2'-deoxymugineic acid

metacyc.compound:CPD-7227
metacycM:CPD-7227
CUZKLRTTYZOCSD-JVIMKECRSA-M 		2'-deoxymugineate
1-azetidinebutanoic acid
2'-deoxymugineic acid

CHEBI:19274
chebi:19274
CUZKLRTTYZOCSD-CIUDSAMLSA-N 		2'-deoxymugineic acid
(2S)-1-[(3S)-3-carboxy-3-{[(3S)-3-carboxy-3-hydroxypropyl]amino}propyl]azetidine-2-carboxylic acid

keggC:M_C15485
seedM:M_cpd11172 		secondary/obsolete/fantasy identifier