β-Carotene
precursor
Showing entry for β-Carotene
Identification
- PhytoHub ID
- PHUB000350
- Name
- β-Carotene
- Systematic Name
- beta-Carotene
- Synonyms
- beta-Carotene
- Carotene
- CAS Number
- 7235-40-7
- Average Mass
- 536.888
- Monoisotopic Mass
- 536.438201803
- Chemical Formula
- C40H56
- IUPAC Name
- Not Available
- InChI Key
- OENHQHLEOONYIE-JLTXGRSLSA-N
- InChI Identifier
beta,beta-Carotene
- SMILES
C\C(\C=C\C=C(/C)\C=C\C1=C(C)CCCC1(C)C)=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C1=C(C)CCCC1(C)C
- Structure
Calculated Properties
- Solubility (ALOGPS)
- Not Available
- LogS (ALOGPS)
- Not Available
- LogP (ALOGPS)
- Not Available
- Hydrogen Acceptors
- 0
- Hydrogen Donors
- 0
- Rotatable Bond Count
- Not Available
- Polar Surface Area
- Not Available
- Refractivity
- Not Available
- Polarizability
- Not Available
- Formal Charge
- Not Available
- Physiological Charge
- Not Available
- pKa (strongest basic)
- Not Available
- pKa (strongest acidic)
- Not Available
- Number of Rings
- Not Available
- Rule of Five
- No
- Bioavailability
- No
- Ghose Filter
- No
- Veber's Rule
- No
- MDDR-like Rule
- No
External Links
- ChEBI
- 67188
- ChEBI
- 17579
- PubChem
- 5280489
- Chemistry Dashboard
- DTXSID3020253
- KNApSAcK
- C00000919
- MetaboLights
- MTBLC17579
- Exposome Explorer
- 89
- Carotenoids DB
- CA00309
Taxonomy as Food Phytochemical
- Family
- Terpenoids
- Class
- Carotenoids
- Sub-class
- Not Available
Taxonomy as Metabolite
- Metabolite Family
- Terpenoid metabolites
- Metabolite Class
- Carotenoid metabolites
- Metabolite Sub-class
- Not Available
Taxonomy of its Food Phytochemical Precursor(s)
Food Phytochemical | Family | Class | Sub-class | |
---|---|---|---|---|
β-Carotene | Terpenoids | Carotenoids | Not Available | Show Food Phytochemical |
Spectra from Phytohub
Spectrum Type | Instrument Type | Ion Mode | Collision Energy Level | View | Peaks | |
---|---|---|---|---|---|---|
Food Sources
Food Sources of its Food Phytochemical(s)
Role as Biomarker of intake
No roles as Biomarker of intake found
Metabolism
Food Phytochemical | Metabolite | Species | Biofluids | Origin | TMax | CMax | Urinary Excretion | Formula | Monoisotopic mass | ||||
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
β-Carotene | β-Carotene | human | plasma (major) | unchanged | Not Available | Not Available | Not Available | C40H56 | 536.438201803 | Detailed Intervention Studies | Publications | ||
β-Carotene | Retinal | human | serum | host metabolism | Not Available | Not Available | Not Available | C20H28O | 284.214015522 | ||||
β-Carotene | 13-apo-β-carotenone | human | plasma (minor) | host metabolism | Not Available | Not Available | Not Available | C18H26O | 258.198365457 | Detailed Intervention Studies | Publications |
Inter-Individual Variations in Metabolism
Food Phytochemical | Metabolite | Effect | Value |
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