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

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beta-D-ribosylnicotinate

	Properties	Image
MNX_ID	MNXM1102169
reference	chebi:58527
formula	C₁₁H₁₃NO₆
global charge	0
mol weight	255.226
InChIKey	PUEDDPCUCPRQNY-ZYUZMQFOSA-N
InChI	InChI=1S/C11H13NO6/c13-5-7-8(14)9(15)10(18-7)12-3-1-2-6(4-12)11(16)17/h1-4,7-10,13-15H,5H2/t7-,8-,9-,10-/m1/s1
SMILES	O=C([O-])C1=CC=C[N+]([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)=C1

MNX internals

InChI (mnx)	InChI=1/C11H13NO6/c13-5-7-8(14)9(15)10(18-7)12-3-1-2-6(4-12)11(16)17/h1-4,7-10,13-15H,5H2/t7-,8-,9-,10-/m1/s1
SMILES (mnx)	[CH:1]1=[CH:2][C:6]([C:11](=[O:16])[O-:17])=[CH:4][N+:12]([C@H:10]2[C@H:9]([OH:15])[C@H:8]([OH:14])[C@@H:7]([CH2:5][OH:13])[O:18]2)=[CH:3]1

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	8
in models (compartimentalized)	7

Similar chemical compounds in external resources
Identifier	Description
reactome:R-ALL-8869365 reactomeM:R-ALL-8869365 CHEBI:58527 chebi:58527 PUEDDPCUCPRQNY-ZYUZMQFOSA-N	beta-D-ribosylnicotinate 1-(beta-D-ribofuranosyl)pyridinium-3-carboxylate D-ribosylnicotinate
CHEBI:27748 chebi:27748 PUEDDPCUCPRQNY-ZYUZMQFOSA-O	D-ribosylnicotinic acid 3-carboxy-1-(D-ribofuranosyl)pyridinium Nicotinate D-ribonucleoside nicotinic acid riboside
bigg.metabolite:nicrns biggM:nicrns PUEDDPCUCPRQNY-ZYUZMQFOSA-N	Nicotinate D-ribonucleoside
vmhM:nicrns vmhmetabolite:nicrns PUEDDPCUCPRQNY-ZYUZMQFOSA-O	Nicotinate D-ribonucleoside 3-carboxy-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1lambda5-pyridin-1-ylium
kegg.compound:C05841 keggC:C05841 PUEDDPCUCPRQNY-ZYUZMQFOSA-O	Nicotinate D-ribonucleoside beta-D-Ribosylnicotinate
seed.compound:cpd03471 seedM:cpd03471 PUEDDPCUCPRQNY-ZYUZMQFOSA-N	Nicotinate D-ribonucleoside beta-D-Ribosylnicotinate beta-D-ribosylnicotinate nicotinate riboside nicotinic acid ribose nicotinic acid riboside ribosylnicotinate
hmdb:HMDB0006809 PUEDDPCUCPRQNY-ZYUZMQFOSA-O	Nicotinic acid ribonucleoside 3-Carboxy-1-beta-D-ribofuranosylpyridinium 3-carboxy-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1lambda5-pyridin-1-ylium D-Ribosylnicotinate Nicotinate ribonucleoside Nicotinate ribose Nicotinate riboside Nicotinic acid D-ribonucleoside Nicotinic acid ribose Nicotinic acid riboside Nicotinic riboside Ribosylnicotinate b-D-Ribosylnicotinate b-D-Ribosylnicotinic acid beta-D-Ribosylnicotinate beta-D-Ribosylnicotinic acid beta-D-ribosylnicotinate beta-D-ribosylnicotinic acid
metacyc.compound:CPD-8259 metacycM:CPD-8259 PUEDDPCUCPRQNY-ZYUZMQFOSA-N	beta-D-ribosylnicotinate nicotinate riboside nicotinic acid ribose nicotinic acid riboside ribosylnicotinate
hmdb:HMDB06809 chebi:25531 chebi:61161 chebi:7560 biggM:M_nicrns keggC:M_C05841 seedM:M_cpd03471 vmhM:M_nicrns	secondary/obsolete/fantasy identifier