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

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AminoDHQ

	Properties	Image
MNX_ID	MNXM5552
reference	chebi:29513
formula	C₇H₁₁NO₅
global charge	0
mol weight	189.167
InChIKey	WEKGHNWYEFXAQP-SYTVJDICSA-N
InChI	InChI=1S/C7H11NO5/c8-3-1-7(13,6(11)12)2-4(9)5(3)10/h3,5,10,13H,1-2,8H2,(H,11,12)/t3-,5+,7-/m1/s1
SMILES	N[C@@H]1C[C@](O)(C(=O)O)CC(=O)[C@H]1O

MNX internals

InChI (mnx)	InChI=1/C7H11NO5/c8-3-1-7(13,6(11)12)2-4(9)5(3)10/h3,5,10,13H,1-2,8H2,(H,11,12)/t3-,5+,7-/m1/s1
SMILES (mnx)	[CH2:1]1[C@@H:3]([NH2:8])[C@H:5]([OH:10])[C:4](=[O:9])[CH2:2][C@:7]1([C:6](=[O:11])[OH:12])[OH:13]

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	2
in models (compartimentalized)	0

Similar chemical compounds in external resources
Identifier	Description
CHEBI:29513 chebi:29513 kegg.compound:C12109 keggC:C12109 WEKGHNWYEFXAQP-SYTVJDICSA-N	AminoDHQ 5-Deoxy-5-amino-3-dehydroquinic acid
metacyc.compound:CPD-10229 metacycM:CPD-10229 WEKGHNWYEFXAQP-SYTVJDICSA-N	5-deoxy-5-amino-3-dehydroquinate 5-deoxy-5-amino-3-dehydroquinic acid aminoDHQ
seed.compound:cpd08891 seedM:cpd08891 WEKGHNWYEFXAQP-SYTVJDICSA-N	AminoDHQ 5-Deoxy-5-amino-3-dehydroquinic acid 5-deoxy-5-amino-3-dehydroquinate 5-deoxy-5-amino-3-dehydroquinic acid aminoDHQ
keggC:M_C12109 seedM:M_cpd08891	secondary/obsolete/fantasy identifier