alpha-ribazole 5'-phosphate (CHEBI:16837)

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CHEBI:16837 - α-ribazole 5'-phosphate

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ChEBI Name	α-ribazole 5'-phosphate

ChEBI ID	CHEBI:16837

ChEBI ASCII Name	alpha-ribazole 5'-phosphate

Stars	This entity has been manually annotated by the ChEBI Team.

Secondary ChEBI IDs	CHEBI:12622, CHEBI:21797, CHEBI:45218, CHEBI:45255, CHEBI:45256, CHEBI:7355, CHEBI:30599

Supplier Information	ZINC000005930819

Download	Molfile XML SDF

more structures >>

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43 45 0 0 0 0 999 V2000

3.1968 0.3552 -1.7560 N 0 0 0 0 0 0 0 0 0 0 0 0

1.7200 -0.1359 -0.2260 N 0 0 0 0 0 0 0 0 0 0 0 0

1.9863 0.5921 -1.3450 C 0 0 0 0 0 0 0 0 0 0 0 0

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3.7927 -0.5426 -0.9290 C 0 0 0 0 0 0 0 0 0 0 0 0

5.0565 -1.1358 -0.9010 C 0 0 0 0 0 0 0 0 0 0 0 0

5.3696 -2.0268 0.0870 C 0 0 0 0 0 0 0 0 0 0 0 0

4.4402 -2.3537 1.0650 C 0 0 0 0 0 0 0 0 0 0 0 0

3.1881 -1.7770 1.0600 C 0 0 0 0 0 0 0 0 0 0 0 0

6.7341 -2.6640 0.1120 C 0 0 0 0 0 0 0 0 0 0 0 0

4.8066 -3.3389 2.1450 C 0 0 0 0 0 0 0 0 0 0 0 0

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-1.5105 0.7923 -0.3340 C 0 0 1 0 0 0 0 0 0 0 0 0

-0.2492 1.0778 0.2910 O 0 0 0 0 0 0 0 0 0 0 0 0

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-2.7015 -1.2842 -0.8900 O 0 0 0 0 0 0 0 0 0 0 0 0

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0.4652 -0.1408 0.5290 C 0 0 1 0 0 0 0 0 0 0 0 0

7.4127 -2.0476 0.7020 H 0 0 0 0 0 0 0 0 0 0 0 0

6.6647 -3.6558 0.5590 H 0 0 0 0 0 0 0 0 0 0 0 0

7.1142 -2.7501 -0.9060 H 0 0 0 0 0 0 0 0 0 0 0 0

4.5421 -4.3459 1.8220 H 0 0 0 0 0 0 0 0 0 0 0 0

5.8790 -3.2877 2.3350 H 0 0 0 0 0 0 0 0 0 0 0 0

4.2637 -3.0954 3.0580 H 0 0 0 0 0 0 0 0 0 0 0 0

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6 17 1 0 0 0 0

7 8 4 0 0 0 0

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9 18 1 0 0 0 0

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10 29 1 0 0 0 0

10 30 1 0 0 0 0

11 31 1 0 0 0 0

11 32 1 0 0 0 0

11 33 1 0 0 0 0

12 13 2 0 0 0 0

12 14 1 0 0 0 0

12 15 1 0 0 0 0

12 19 1 0 0 0 0

14 34 1 0 0 0 0

15 35 1 0 0 0 0

19 20 1 0 0 0 0

20 21 1 0 0 0 0

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20 37 1 0 0 0 0

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24 40 1 0 0 0 0

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reading 43 atoms

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43 atoms created

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Formula

C14H19N2O7P

Net Charge

Average Mass

358.28370

Monoisotopic Mass

358.09299

InChI

InChI=1S/C14H19N2O7P/c1-7-3-9-10(4-8(7)2)16(6-15-9)14-13(18)12(17)11(23-14)5-22-24(19,20)21/h3-4,6,11-14,17-18H,5H2,1-2H3,(H2,19,20,21)/t11-,12-,13-,14+/m1/s1

InChIKey

ZMRGXEJKZPRBPJ-SYQHCUMBSA-N

SMILES

Cc1cc2ncn([C@H]3O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]3O)c2cc1C

Metabolite of Species	Details
Mus musculus (NCBI:txid10090)	Source: BioModels - MODEL1507180067 See: PubMed
Escherichia coli (NCBI:txid562)	See: PubMed

Roles Classification
Biological Role(s):	Escherichia coli metabolite Any bacterial metabolite produced during a metabolic reaction in Escherichia coli. mouse metabolite Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).

View more via ChEBI Ontology

ChEBI Ontology
Outgoing	α-ribazole 5'-phosphate (CHEBI:16837) has functional parent α-ribazole (CHEBI:10329) α-ribazole 5'-phosphate (CHEBI:16837) has role Escherichia coli metabolite (CHEBI:76971) α-ribazole 5'-phosphate (CHEBI:16837) has role mouse metabolite (CHEBI:75771) α-ribazole 5'-phosphate (CHEBI:16837) is a 1-ribosylbenzimidazole (CHEBI:47917) α-ribazole 5'-phosphate (CHEBI:16837) is a dimethylbenzimidazole (CHEBI:23809) α-ribazole 5'-phosphate (CHEBI:16837) is a ribose monophosphate (CHEBI:35159) α-ribazole 5'-phosphate (CHEBI:16837) is conjugate acid of α-ribazole 5'-phosphate(2−) (CHEBI:57918)

Incoming	α-ribazole 5'-phosphate(2−) (CHEBI:57918) is conjugate base of α-ribazole 5'-phosphate (CHEBI:16837)

IUPAC Name

5,6-dimethyl-1-(5-O-phosphono-α-D-ribofuranosyl)-1H-benzimidazole

Synonyms	Sources
5,6-Dimethyl-1-alpha-D-ribofuranosylbenzimidazole 5'-phosphate	ChemIDplus
α-ribazole 5'-phosphate	IUBMB
alpha-Ribazole 5'-phosphate	KEGG COMPOUND
α-ribazole-5'-P	ChemIDplus
ALPHA-RIBAZOLE-5'-PHOSPHATE	PDBeChem
N1-(5-Phospho-alpha-D-ribosyl)-5,6-dimethylbenzimidazole	KEGG COMPOUND
N¹-(5-phosphoribosyl)-5,6-dimethylbenzimidazole	ChemIDplus
PHOSPHORIC ACID MONO-[5-(5,6-DIMETHYL-BENZOIMIDAZOL-1-YL)-3,4-DIHYDROXY-TETRAHYDRO-FURAN-2YLMETHYL] ESTER	PDBeChem

Manual Xrefs	Databases
C04778	KEGG COMPOUND
DB02030	DrugBank
RBZ	PDBeChem
View more database links

Registry Numbers	Types	Sources
627989	Beilstein Registry Number	Beilstein
975-91-7	CAS Registry Number	ChemIDplus

Last Modified

20 November 2019

CHEBI:16837 - α-ribazole 5'-phosphate

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