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

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7,8-dihydropteroate

	Properties	Image
MNX_ID	MNXM722728
reference	chebi:17839
formula	C₁₄H₁₃N₆O₃
global charge	-1
mol weight	313.297
InChIKey	WBFYVDCHGVNRBH-UHFFFAOYSA-M
InChI	InChI=1S/C14H14N6O3/c15-14-19-11-10(12(21)20-14)18-9(6-17-11)5-16-8-3-1-7(2-4-8)13(22)23/h1-4,16H,5-6H2,(H,22,23)(H4,15,17,19,20,21)/p-1
SMILES	NC1=NC2=C(N=C(CNC3=CC=C(C(=O)[O-])C=C3)CN2)C(=O)N1

MNX internals

InChI (mnx)	InChI=1/C14H14N6O3/c15-14-19-11-10(12(21)20-14)18-9(6-17-11)5-16-8-3-1-7(2-4-8)13(22)23/h1-4,16H,5-6H2,(H,22,23)(H4,15,17,19,20,21)
SMILES (mnx)	[CH:1]1=[CH:3][C:8]([NH:16][CH2:5][C:9]2=[N:18][C:10]3=[C:11]([NH:17][CH2:6]2)[NH:19][C:14](=[NH:15])[N:20]=[C:12]3[OH:21])=[CH:4][CH:2]=[C:7]1[C:13]([OH:22])=[O:23]

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	13
in models (compartimentalized)	10

Similar chemical compounds in external resources
Identifier	Description
CHEBI:17839 chebi:17839 WBFYVDCHGVNRBH-UHFFFAOYSA-M	7,8-dihydropteroate 4-{[(2-amino-4-oxo-3,4,7,8-tetrahydropteridin-6-yl)methyl]amino}benzoate
hmdb:HMDB0001412 WBFYVDCHGVNRBH-UHFFFAOYSA-N	7,8-Dihydropteroic acid 4-(((2-Amino-1,4,7,8-tetrahydro-4-oxo-6-pteridinyl)methyl)amino)benzoate 4-(((2-Amino-1,4,7,8-tetrahydro-4-oxo-6-pteridinyl)methyl)amino)benzoic acid 4-[[(2-Amino-1,4,7,8-tetrahydro-4-oxo-6-pteridinyl)methyl]amino]-benzoate 4-[[(2-Amino-1,4,7,8-tetrahydro-4-oxo-6-pteridinyl)methyl]amino]-benzoic acid 4-[[(2-Amino-3,4,7,8-tetrahydro-4-oxo-6-pteridinyl)methyl]amino]-benzoate 4-[[(2-Amino-3,4,7,8-tetrahydro-4-oxo-6-pteridinyl)methyl]amino]-benzoic acid 4-{[(2-amino-4-oxo-3,4,7,8-tetrahydropteridin-6-yl)methyl]amino}benzoic acid 7,8-Dihydropteroate 7,8-dihydropteroic acid Dihydropterate Dihydropteroate Dihydropteroic acid Dihydropteroinsaeure H2Pte p-[[(2-Amino-7,8-dihydro-4-hydroxy-6-pteridinyl)methyl]amino]-benzoate p-[[(2-Amino-7,8-dihydro-4-hydroxy-6-pteridinyl)methyl]amino]-benzoic acid
metacyc.compound:7-8-DIHYDROPTEROATE metacycM:7-8-DIHYDROPTEROATE seed.compound:cpd28673 seedM:cpd28673 seed.compound:cpd28675 seedM:cpd28675 WBFYVDCHGVNRBH-UHFFFAOYSA-M	7,8-dihydropteroate H2Pte dihydropterate dihydropteroate
CHEBI:4581 chebi:4581 WBFYVDCHGVNRBH-UHFFFAOYSA-N	7,8-dihydropteroic acid 4-(((2-amino-1,4,7,8-tetrahydro-4-oxo-6-pteridinyl)methyl)amino)benzoic acid 4-{[(2-amino-4-oxo-3,4,7,8-tetrahydropteridin-6-yl)methyl]amino}benzoic acid 7,8-Dihydropteroate Dihydropteroate Dihydropteroinsaeure
bigg.metabolite:dhpt biggM:dhpt WBFYVDCHGVNRBH-UHFFFAOYSA-M	Dihydropteroate
vmhM:dhpt vmhmetabolite:dhpt WBFYVDCHGVNRBH-UHFFFAOYSA-M	Dihydropteroate 4-{[(2-amino-4-oxo-3,4,7,8-tetrahydropteridin-6-yl)methyl]amino}benzoic acid
sabiork.compound:5318 sabiorkM:5318 kegg.compound:C00921 keggC:C00921 WBFYVDCHGVNRBH-UHFFFAOYSA-N	Dihydropteroate 7,8-Dihydropteroate
seed.compound:cpd00683 seedM:cpd00683 WBFYVDCHGVNRBH-UHFFFAOYSA-M	Dihydropteroate 7,8-Dihydropteroate 7,8-dihydropteroate H2Pte dhpt dihydropterate dihydropteroate
hmdb:HMDB01412 chebi:14160 chebi:23762 biggM:M_dhpt keggC:M_C00921 seedM:M_cpd00683 seedM:M_cpd28673 seedM:M_cpd28675 vmhM:M_dhpt	secondary/obsolete/fantasy identifier