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

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adenine

	Properties	Image
MNX_ID	MNXM168
reference	chebi:16708
formula	C₅H₅N₅
global charge	0
mol weight	135.13
InChIKey	GFFGJBXGBJISGV-UHFFFAOYSA-N
InChI	InChI=1S/C5H5N5/c6-4-3-5(9-1-7-3)10-2-8-4/h1-2H,(H3,6,7,8,9,10)
SMILES	NC1=C2N=CNC2=NC=N1

MNX internals

InChI (mnx)	InChI=1/C5H5N5/c6-4-3-5(9-1-7-3)10-2-8-4/h1-2H,(H3,6,7,8,9,10)
SMILES (mnx)	[CH:1]1=[N:7][C:3]2=[C:4]([NH2:6])[N:8]=[CH:2][NH:10][C:5]2=[N:9]1

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	99
in models (compartimentalized)	43

Similar chemical compounds in external resources
Identifier	Description
reactome:R-ALL-5635947 reactomeM:R-ALL-5635947 reactome:R-ALL-727751 reactomeM:R-ALL-727751 reactome:R-ALL-83947 reactomeM:R-ALL-83947 reactome:R-ALL-83951 reactomeM:R-ALL-83951 CHEBI:16708 chebi:16708 GFFGJBXGBJISGV-UHFFFAOYSA-N	adenine 6-Aminopurine 9H-purin-6-amine A ADENINE Ade Adenin Adenine
bigg.metabolite:ade biggM:ade GFFGJBXGBJISGV-UHFFFAOYSA-N	Adenine
kegg.drug:D00034 keggD:D00034 GFFGJBXGBJISGV-UHFFFAOYSA-N	Adenine (JAN/USP) Leucon (TN)
hmdb:HMDB0000034 GFFGJBXGBJISGV-UHFFFAOYSA-N	Adenine 1,6-Dihydro-6-iminopurine 1H-Purin-6-amine 1H-Purine-6-amine 3,6-Dihydro-6-iminopurine 4, Vitamin b 6-Amino-1H-purine 6-Amino-3H-purine 6-Amino-7H-purine 6-Amino-9H-purine 6-Amino-purine 6-Aminopurine 7H-purin-6-amine 9H-Purin-6-amine 9H-Purin-6-yl-amin 9H-Purin-6-ylamine 9H-Purine-6-amine A Ade Adenin Adeninimine Leucon Vitamin b 4 Vitamin b4 b 4, Vitamin vitamin B4
sabiork.compound:57 sabiorkM:57 kegg.compound:C00147 keggC:C00147 GFFGJBXGBJISGV-UHFFFAOYSA-N	Adenine 6-Aminopurine
seed.compound:cpd00128 seedM:cpd00128 GFFGJBXGBJISGV-UHFFFAOYSA-N	Adenine 6-Aminopurine 6-aminopurine ade adenine
vmhM:ade vmhmetabolite:ade GFFGJBXGBJISGV-UHFFFAOYSA-N	Adenine 7H-purin-6-amine
metacyc.compound:ADENINE-RING metacycM:ADENINE-RING seed.compound:cpd22238 seedM:cpd22238 GFFGJBXGBJISGV-UHFFFAOYSA-N	adenine-ring
metacyc.compound:ADENINE metacycM:ADENINE GFFGJBXGBJISGV-UHFFFAOYSA-N	adenine 6-aminopurine A
envipath:...5df69471d1ef envipathM:...5df69471d1ef GFFGJBXGBJISGV-UHFFFAOYSA-N	compound 0048199
hmdb:HMDB00034 chebi:13733 chebi:22236 chebi:2470 chebi:40579 biggM:M_ade keggC:M_C00147 keggD:M_D00034 seedM:M_cpd00128 seedM:M_cpd22238 vmhM:M_ade	secondary/obsolete/fantasy identifier