Chemical substance record

Riboflavin

83-88-5C₁₇H₂₀N₄O₆376.369 g/mol

Organic/Inorganic Small MoleculeChEBI source record

D-Ribitol in which the hydroxy group at position 5 is substituted by a 7,8-dimethyl-2,4-dioxo-3,4-dihydrobenzo[g]pteridin-10(2H)-yl moiety. It is a nutritional factor found in milk, eggs, malted barley, liver, kidney, heart, and leafy vegetables, but the richest natural source is yeast. The free form occurs only in the retina of the eye, in whey, and in urine; its principal forms in tissues and cells are as flavin mononucleotide and flavin-adenine dinucleotide. — ChEBI

Safety references

Safety documents & references

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Identity & molecular properties

Source-linked values

CAS number	83-88-5	ChEBI ↗
Molecular formula	C₁₇H₂₀N₄O₆	ChEBI ↗
Molar mass	376.369 g/mol	ChEBI ↗
Monoisotopic mass	376.13828 Da	ChEBI ↗
Formal charge	0	ChEBI ↗
ChEBI identifier	CHEBI:17015	ChEBI ↗

Cross-source molecular data

PubChem

Molar mass	376.4 g/mol	PubChem ↗
Exact mass	376.13828437 Da	PubChem ↗
Computed XLogP	-1.5	PubChem ↗
Topological polar surface area (Å²)	155	PubChem ↗
H-bond donors	5	PubChem ↗
H-bond acceptors	7	PubChem ↗
Rotatable bonds	5	PubChem ↗

PubChem computed values are shown separately from the ChEBI record. An exact InChIKey match was used to connect the records. Molecular descriptors do not describe a supplied product’s purity, particle size or performance.

Names & structural identifiers

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Source preferred name

riboflavin

IUPAC name

1-deoxy-1-(7,8-dimethyl-2,4-dioxo-3,4-dihydrobenzo[g]pteridin-10(2H)-yl)-D-ribitol

InChIKey

AUNGANRZJHBGPY-SCRDCRAPSA-N

SMILES

Cc1cc2nc3c(=O)nc(=O)nc-3n(C[C@H](O)[C@H](O)[C@H](O)CO)c2cc1C

InChI

InChI=1S/C17H20N4O6/c1-7-3-9-10(4-8(7)2)21(5-11(23)14(25)12(24)6-22)15-13(18-9)16(26)20-17(27)19-15/h3-4,11-12,14,22-25H,5-6H2,1-2H3,(H,20,26,27)/t11-,12+,14-/m0/s1

Names & synonyms

1-deoxy-1-(7,8-dimethyl-2,4-dioxo-3,4-dihydrobenzo[g]pteridin-10(2H)-yl)-D-ribitolAqua-FlaveBeflavinBeflavineBisulaseDermadramFiboflavinFlavaxinFlavin BbFlaxainHyflavinriboflavina

Names are supplied by ChEBI. Trade names and related synonyms may describe a broader product context.

Classification & relationships

ChEBI ontology

vitamin B2ChEBI parent class · 176838 ↗flavinChEBI parent class · 30527 ↗

organic heterocyclic compound organic molecular entity

Roles recorded in ChEBI

antioxidantrenoprotective agentcofactoranalgesiccardiovascular drugantineoplastic agentimmunosuppressive agentphotosensitizing agentanti-ulcer drugantipsoriatic

Database role annotations describe reported biological or chemical roles; they are not product approvals or recommendations for use.

Mass ↔ amount of substance

Calculated from sourced mass

Amount

Input unit

Equivalent amount

0.00265697 mol

Uses 376.369 g/mol from ChEBI. Assumes the substance described by this record; no purity or concentration correction is applied.

Elemental composition

Theoretical mass fractions

C

Carbon · 17 atoms

54.25%

O

Oxygen · 6 atoms

25.51%

N

Nitrogen · 4 atoms

14.89%

H

Hydrogen · 20 atoms

5.36%

Calculated theoretical mass fractions from the reported formula and PubChem periodic-table atomic masses. These are not assay or purity results.

Research & patent references

Selected source associations

Elevation of serum riboflavin carrier protein in breast cancer. ↗Cancer epidemiology, biomarkers & prevention : a publication of the American Association for Cancer Research, cosponsored by the American Society of Preventive Oncology · 1999 Nov · PMID 10566553

The solution structure of the N-terminal domain of riboflavin synthase. ↗Journal of molecular biology · 2001 Jun 15 · PMID 11399071

US2807611 · Patent reference ↗Patent cross-reference supplied by ChEBI. Association alone does not establish claim scope.

US2876169 · Patent reference ↗Patent cross-reference supplied by ChEBI. Association alone does not establish claim scope.

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Sources & record history

Checked 27 Sep 2026

Identity, formula, mass, synonyms & ontologyEMBL-EBI ChEBI · CHEBI:17015

Release 255, 9 September 2026. ChEBI three-star (manually annotated) source entry. View original record ↗ · CC BY 4.0

Additional molecular descriptorsNCBI PubChem · CID 493570 · retrieved 2026-09-27

PubCAS formats source data, connects references and computes explicitly labelled conversions. CAS cross-references are supplied by ChEBI; they do not constitute CAS verification or endorsement.

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