Basic information
- Standard SMILES
O=C(O)C1CC(O)CN1- InChIKey
PMMYEEVYMWASQN-UHFFFAOYSA-N- Molecular formula
- C5H9NO3
- Average molar mass
- 131.13 g/mol
- Monoisotopic mass
- 131.05824315
Names & identifiers
- Preferred name
- 4-Hydroxyproline
- IUPAC
- 4-hydroxypyrrolidine-2-carboxylic acid
- English name
- 4-hydroxypyrrolidine-2-carboxylic acid
- Molecular formula
- C5H9NO3
- Molecular weight
- 131.13
Names & synonyms
4-hydroxypyrrolidine-2-carboxylic acid4-hydroxyproline6912-67-0CHEBI:20392DTXSID60861573RefChem:1070835DTXCID90218793trans-L-4-hydroxyprolineMFCD0006671825249-07-44-Hydroxy-L-proline30724-02-8
Show more names
Nsc206304rel-(2S,4S)-4-Hydroxypyrrolidine-2-carboxylic acid
Proline, 4-hydroxy-L-Trans-4-hydroxy-L-prolined-hydroxyprolineL-Proline, 4-hydroxy-, labeled with tritium, trans-L-AllohydroxyprolineD-cis-Hydroxyprolineallo-L-Hydroxyproline49761-17-3
Database identifiers
- CAS
18610-59-8、25249-07-4、2584-71-6、3398-22-9、49761-17-3、618-27-9、6912-67-0- PubChem CID
- 825
- DTXSID
DTXSID60861573- ChEMBL
CHEMBL1213475- ChEBI
CHEBI:20392- Nikkaji
- J4.116E
Properties
Computed structural properties
- XLogP
- -3.3
- Topological polar surface area
- 69.6 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 125
Physicochemical properties
- Boiling point
- 355.233 · 355.233±42.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.395 · 1.395±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 2.14 · 2.140±0.40(predicted)
Safety & regulation
Toxicology
Carcinogen ClassificationNo indication of carcinogenicity to humans (not listed by IARC).
Chemistry & industry
Uses & manufacturing
UsesThis is an endogenously produced metabolite found in the human body. It is used in metabolic reactions, catabolic reactions or waste generation.
Suppliers6 total
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
武汉易泰科技有限公司上海分公司18930552037 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
宝鸡缔都医药化工有限公司029-81145305 17791533577 · [email protected]
石家庄瑞田生化有限公司15831127780 · [email protected]
杭州洁汉化工有限公司+86-571-86217390; +8618058761490 · [email protected]
Additional notes
DefinitionChEBI: 4-hydroxyproline is a monohydroxyproline where the hydroxy group is located at the 4-position. It is found in fibrillar collagen. It has a role as a human metabolite. It is a conjugate acid of a 4-hydroxyprolinate. It is a tautomer of a 4-hydroxyproline zwitterion.
Related reactions
45 records
Linked notes
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