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Canavaninosuccinate

MNXM10869 is deprecated and here replaced by MNXM726622
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM726622 Image of MNXM726622
referencechebi:89639
formulaC9H16N4O7
global charge0
mol weight292.248
InChIKeySGYMGUGIGTWWLU-UHFFFAOYSA-N
InChIInChI=1S/C9H16N4O7/c10-4(7(16)17)1-2-20-13-9(11)12-5(8(18)19)3-6(14)15/h4-5H,1-3,10H2,(H,14,15)(H,16,17)(H,18,19)(H3,11,12,13)
SMILESN=C(NOCCC(N)C(=O)O)NC(CC(=O)O)C(=O)O
MNX internals
InChI (mnx)InChI=1/C9H16N4O7/c10-4(7(16)17)1-2-20-13-9(11)12-5(8(18)19)3-6(14)15/h4-5H,1-3,10H2,(H,14,15)(H,16,17)(H,18,19)(H3,11,12,13)/t4?,5? Image of MNXM726622
SMILES (mnx)[CH2:1]([CH2:2][O:20][NH:13][C:9](=[NH:11])[NH:12][CH:5]([CH2:3][C:6](=[O:14])[OH:15])[C:8](=[O:18])[OH:19])[CH:4]([C:7](=[O:16])[OH:17])[NH2:10]
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:89639
chebi:89639
SGYMGUGIGTWWLU-UHFFFAOYSA-N 		Canavaninosuccinate
2-[1-(3-amino-3-carboxypropoxy)carbamimidamido]butanedioic acid
Canavaninosuccinic acid
hmdb:HMDB0012197
SGYMGUGIGTWWLU-UHFFFAOYSA-N 		Canavaninosuccinate
2-[3-(3-amino-3-carboxypropoxy)carbamimidamido]butanedioic acid
2-[N'-(3-amino-3-carboxypropoxy)carbamimidamido]butanedioate
Canavaninosuccinic acid

hmdb:HMDB12197 		secondary/obsolete/fantasy identifier