precursor
Showing entry for Carotene-gamma
Identification
- PhytoHub ID
- PHUB000351
- Name
- Carotene-gamma
- Synonyms
- Not Available
- CAS Number
- 472-93-5
- Average Mass
- 536.888
- Monoisotopic Mass
- 536.438201803
- Chemical Formula
- C40H56
- IUPAC Name
- gamma-carotene
- InChI Key
- HRQKOYFGHJYEFS-BXOLYSJBSA-N
- InChI Identifier
InChI=1S/C40H56/c1-32(2)18-13-21-35(5)24-15-26-36(6)25-14-22-33(3)19-11-12-20-34(4)23-16-27-37(7)29-30-39-38(8)28-17-31-40(39,9)10/h11-12,14-16,18-20,22-27,29-30H,13,17,21,28,31H2,1-10H3/b12-11+,22-14+,23-16+,26-15+,30-29+,33-19+,34-20+,35-24+,36-25+,37-27+
- SMILES
CC(C)=CCC\C(C)=C\C=C\C(\C)=C\C=C\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)
- 3.77e-04 g/l
- LogS (ALOGPS)
- -6.15
- LogP (ALOGPS)
- 9.59
- Hydrogen Acceptors
- 0
- Hydrogen Donors
- 0
- Rotatable Bond Count
- 13
- Polar Surface Area
- 0.0
- Refractivity
- 194.70890000000009
- Polarizability
- 72.9993799708986
- Formal Charge
- 0
- Physiological Charge
- 0
- pKa (strongest basic)
- Not Available
- pKa (strongest acidic)
- Not Available
External Links
- ChEBI
- 27740
- PubChem
- 5280791
- KNApSAcK
- C00000926
- MetaboLights
- MTBLC27740
Taxonomy
- Family
- Terpenoids
- Class
- Carotenoids
- Sub-class
- Not Available
Spectra
No spectra information available
Food Sources
Name | Group | |||
---|---|---|---|---|
Apricot | Fruit, Drupes | Publications | Show | |
Bell pepper (Capsicum annuum, mild varieties) | Vegetables, Fruit vegetables | Publications | Show | |
Carrot | Vegetables, Root vegetables | Publications | Show | |
Common persimmon | Fruit, Tropical fruits | Publications | Show | |
Corn | Cereals and cereal products | Publications | Show | |
Tomato | Vegetables, Fruit vegetables | Publications | Show |
Metabolism
No metabolism information available