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

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N-(2,3-dihydroxybenzoyl)-L-serine

	Properties	Image
MNX_ID	MNXM729151
reference	chebi:58154
formula	C₁₀H₁₀NO₆
global charge	-1
mol weight	240.191
InChIKey	VDTYHTVHFIIEIL-LURJTMIESA-M
InChI	InChI=1S/C10H11NO6/c12-4-6(10(16)17)11-9(15)5-2-1-3-7(13)8(5)14/h1-3,6,12-14H,4H2,(H,11,15)(H,16,17)/p-1/t6-/m0/s1
SMILES	O=C(N[C@@H](CO)C(=O)[O-])C1=CC=CC(O)=C1O

MNX internals

InChI (mnx)	InChI=1/C10H11NO6/c12-4-6(10(16)17)11-9(15)5-2-1-3-7(13)8(5)14/h1-3,6,12-14H,4H2,(H,11,15)(H,16,17)/t6-/m0/s1
SMILES (mnx)	[CH:1]1=[CH:2][C:5]([C:9](=[N:11][C@@H:6]([CH2:4][OH:12])[C:10](=[O:16])[OH:17])[OH:15])=[C:8]([OH:14])[C:7]([OH:13])=[CH:3]1

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	23
in models (compartimentalized)	11

Similar chemical compounds in external resources
Identifier	Description
CHEBI:58154 chebi:58154 VDTYHTVHFIIEIL-LURJTMIESA-M	N-(2,3-dihydroxybenzoyl)-L-serine N-(2,3-dihydroxybenzoyl)-L-serinate N-(2,3-dihydroxybenzoyl)-L-serinate anion N-(2,3-dihydroxybenzoyl)-L-serinate(1-)
seed.compound:cpd02582 seedM:cpd02582 VDTYHTVHFIIEIL-LURJTMIESA-M	2,3-Dihydroxy-N-benzoyl-L-serine 2,3-Dihydroxybenzoylserine 2,3-dihydroxybenzoylserine 2-(2,3-dihydroxybenzoyl)amino-3-hydroxy-propanoic acid N-(2,3-Dihydroxybenzoyl)-L-serine N-(2,3-dihydroxybenzoyl)-L-serine
bigg.metabolite:23dhbzs biggM:23dhbzs VDTYHTVHFIIEIL-UHFFFAOYSA-M	2,3-dihydroxybenzoylserine
kegg.compound:C04204 keggC:C04204 VDTYHTVHFIIEIL-LURJTMIESA-N	N-(2,3-Dihydroxybenzoyl)-L-serine 2,3-Dihydroxy-N-benzoyl-L-serine 2,3-Dihydroxybenzoylserine
CHEBI:17455 chebi:17455 VDTYHTVHFIIEIL-LURJTMIESA-N	N-(2,3-dihydroxybenzoyl)-L-serine 2,3-Dihydroxy-N-benzoyl-L-serine N-(2,3-Dihydroxybenzoyl)-L-serine
metacyc.compound:N-23-DIHYDROXYBENZOYL-L-SERINE metacycM:N-23-DIHYDROXYBENZOYL-L-SERINE VDTYHTVHFIIEIL-LURJTMIESA-M	N-(2,3-dihydroxybenzoyl)-L-serine 2,3-dihydroxybenzoylserine 2-(2,3-dihydroxybenzoyl)amino-3-hydroxy-propanoic acid
CHEBI:143101 chebi:143101 VDTYHTVHFIIEIL-UHFFFAOYSA-N	N-(2,3-dihydroxybenzoyl)serine 2,3-DHBS 2,3-dihydroxy-N-benzoylserine 2,3-dihydroxybenzoylserine 2-(2,3-dihydroxybenzamido)-3-hydroxypropanoic acid 2-[(2,3-dihydroxybenzoyl)amino]-3-hydroxypropanoic acid 2-[(2,3-dihydroxyphenyl)formamido]-3-hydroxypropanoic acid
chebi:12428 chebi:21467 chebi:7084 biggM:M_23dhbzs keggC:M_C04204 seedM:M_cpd02582	secondary/obsolete/fantasy identifier