Home/Chemicals/4836-52-6

Chemical substance record

L-histidinol

4836-52-6C₆H₁₁N₃O141.174 g/mol

Organic/Inorganic Small MoleculeChEBI source record

A histidinol that has L-configuration. — ChEBI

Safety references

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Identity & molecular properties

Source-linked values

CAS number	4836-52-6	ChEBI ↗
Molecular formula	C₆H₁₁N₃O	ChEBI ↗
Molar mass	141.174 g/mol	ChEBI ↗
Monoisotopic mass	141.09021 Da	ChEBI ↗
Formal charge	0	ChEBI ↗
ChEBI identifier	CHEBI:16255	ChEBI ↗

Cross-source molecular data

PubChem

Molar mass	141.17 g/mol	PubChem ↗
Exact mass	141.090211983 Da	PubChem ↗
Computed XLogP	-1.2	PubChem ↗
Topological polar surface area (Å²)	74.9	PubChem ↗
H-bond donors	3	PubChem ↗
H-bond acceptors	3	PubChem ↗
Rotatable bonds	3	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

L-histidinol

IUPAC name

(2S)-2-amino-3-(1H-imidazol-4-yl)propan-1-ol

InChIKey

ZQISRDCJNBUVMM-YFKPBYRVSA-N

SMILES

N[C@H](CO)Cc1cncn1

InChI

InChI=1S/C6H11N3O/c7-5(3-10)1-6-2-8-4-9-6/h2,4-5,10H,1,3,7H2,(H,8,9)/t5-/m0/s1

Names & synonyms

(2S)-2-amino-3-(1H-imidazol-4-yl)propan-1-ol

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

Classification & relationships

ChEBI ontology

histidinolChEBI parent class · 43321 ↗

alcohol organic heterocyclic compound organic molecular entity

Roles recorded in ChEBI

Saccharomyces cerevisiae metaboliteEscherichia coli metabolitehuman metaboliteEC 2.3.1.97 (glycylpeptide N-tetradecanoyltransferase) inhibitor

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

0.00708346 mol

Uses 141.174 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 · 6 atoms

51.05%

N

Nitrogen · 3 atoms

29.77%

O

Oxygen · 1 atom

11.33%

H

Hydrogen · 11 atoms

7.85%

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

L-histidinol: preclinical therapeutic studies in combination with antitumor agents and pharmacokinetic studies in mice. ↗Cancer research · 1992 Jul 1 · PMID 1617631

Effects of L-histidinol on the proliferation and anticancer drug susceptibility of cultured B16f10 melanoma cells. ↗Anticancer research · 1991 Sep-Oct · PMID 1768057

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Sources & record history

Checked 27 Sep 2026

Identity, formula, mass, synonyms & ontologyEMBL-EBI ChEBI · CHEBI:16255

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

Additional molecular descriptorsNCBI PubChem · CID 165271 · 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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