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

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(5S,6S)-6-amino-5-hydroxycyclohexa-1,3-diene-1-carboxyate

	Properties	Image
MNX_ID	MNXM3745
reference	chebi:60849
formula	C₇H₉NO₃
global charge	0
mol weight	155.153
InChIKey	XBTXTLKLSHACSS-WDSKDSINSA-N
InChI	InChI=1S/C7H9NO3/c8-6-4(7(10)11)2-1-3-5(6)9/h1-3,5-6,9H,8H2,(H,10,11)/t5-,6-/m0/s1
SMILES	[NH3+][C@H]1C(C(=O)[O-])=CC=C[C@@H]1O

MNX internals

InChI (mnx)	InChI=1/C7H9NO3/c8-6-4(7(10)11)2-1-3-5(6)9/h1-3,5-6,9H,8H2,(H,10,11)/t5-,6-/m0/s1
SMILES (mnx)	[CH:1]1=[CH:3][C@H:5]([OH:9])[C@@H:6]([NH2:8])[C:4]([C:7]([OH:10])=[O:11])=[CH:2]1

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	4
in models (compartimentalized)	2

Similar chemical compounds in external resources
Identifier	Description
CHEBI:60849 chebi:60849 XBTXTLKLSHACSS-WDSKDSINSA-N	(5S,6S)-6-amino-5-hydroxycyclohexa-1,3-diene-1-carboxyate (2S,3S)-2,3-dihydro-3-hydroxyanthranilic acid zwitterion (2S,3S)-2-amino-2,3-dihydro-3-hydroxybenzoic acid zwitterion (5S,6S)-6-amino-5-hydroxycyclohexa-1,3-diene-1-carboxylate (5S,6S)-6-ammonio-5-hydroxycyclohexa-1,3-diene-1-carboxylate
CHEBI:60844 chebi:60844 XBTXTLKLSHACSS-WDSKDSINSA-N	(2S,3S)-2,3-dihydro-3-hydroxyanthranilic acid (2S,3S)-2-amino-2,3-dihydro-3-hydroxybenzoic acid (2S,3S)-TRANS-2,3-DIHYDRO-3-HYDROXYANTHRANILIC ACID (5S,6S)-6-amino-5-hydroxycyclohexa-1,3-diene-1-carboxylic acid
kegg.compound:C19830 keggC:C19830 XBTXTLKLSHACSS-WDSKDSINSA-N	(5S,6S)-6-Amino-5-hydroxycyclohexa-1,3-diene-1-carboxylate DHHA trans-2,3-Dihydro-3-hydroxyanthranilate trans-2,3-Dihydro-3-hydroxyanthranilic acid
metacyc.compound:CPD-9518 metacycM:CPD-9518 XBTXTLKLSHACSS-WDSKDSINSA-N	(5S,6S)-6-amino-5-hydroxycyclohexa-1,3-diene-1-carboxylate 6-amino-5-hydroxycyclohexa-1,3-diene-1-carboxylate trans-2,3-dihydro-3-hydroxyanthranilate trans-2,3-dihydro-3-hydroxyanthranilic acid
seed.compound:cpd17077 seedM:cpd17077 XBTXTLKLSHACSS-WDSKDSINSA-N	trans-2,3-dihydro-3-hydroxyanthranilic acid (5S,6S)-6-Amino-5-hydroxycyclohexane-1,3-diene-1-carboxyate (5S,6S)-6-amino-5-hydroxycyclohexa-1,3-diene-1-carboxylate DHHA dhha trans-2,3-Dihydro-3-hydroxyanthranilate trans-2,3-Dihydro-3-hydroxyanthranilic acid
chebi:43073 keggC:M_C19830 seedM:M_cpd17077	secondary/obsolete/fantasy identifier