| Record Information |
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| Version | 1.0 |
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| Creation Date | 2016-09-30 23:07:14 UTC |
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| Update Date | 2020-05-11 20:23:41 UTC |
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| BMDB ID | BMDB0003993 |
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| Secondary Accession Numbers | |
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| Metabolite Identification |
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| Common Name | Alpha-Carotene |
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| Description | Alpha-Carotene, also known as α-carotene or BCR, belongs to the class of organic compounds known as carotenes. These are a type of unsaturated hydrocarbons containing eight consecutive isoprene units. They are characterized by the presence of two end-groups (mostly cyclohexene rings, but also cyclopentene rings or acyclic groups) linked by a long branched alkyl chain. Carotenes belonging form a subgroup of the carotenoids family. Thus, Alpha-carotene is considered to be an isoprenoid lipid molecule. Alpha-Carotene is a very hydrophobic molecule, practically insoluble (in water), and relatively neutral. |
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| Structure | |
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| Synonyms | | Value | Source |
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| all-trans-alpha-Carotene | ChEBI | | all-trans-a-Carotene | Generator | | all-trans-Α-carotene | Generator | | a-Carotene | Generator | | Α-carotene | Generator | | (+)-alpha-Carotene | HMDB | | (6'r)-beta,epsilon-Carotene | HMDB | | BCR | HMDB | | beta,epsilon-Carotene | HMDB | | Hi-alpha | HMDB | | alpha-Carotene, (6'r)-isomer | HMDB |
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| Chemical Formula | C40H56 |
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| Average Molecular Weight | 536.888 |
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| Monoisotopic Molecular Weight | 536.438201803 |
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| IUPAC Name | 1,5,5-trimethyl-6-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-3,7,12,16-tetramethyl-18-(2,6,6-trimethylcyclohex-1-en-1-yl)octadeca-1,3,5,7,9,11,13,15,17-nonaen-1-yl]cyclohex-1-ene |
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| Traditional Name | α-carotene |
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| CAS Registry Number | 7488-99-5 |
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| SMILES | C\C(\C=C\C=C(/C)\C=C\C1C(C)=CCCC1(C)C)=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C1=C(C)CCCC1(C)C |
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| InChI Identifier | InChI=1S/C40H56/c1-31(19-13-21-33(3)25-27-37-35(5)23-15-29-39(37,7)8)17-11-12-18-32(2)20-14-22-34(4)26-28-38-36(6)24-16-30-40(38,9)10/h11-14,17-23,25-28,37H,15-16,24,29-30H2,1-10H3/b12-11+,19-13+,20-14+,27-25+,28-26+,31-17+,32-18+,33-21+,34-22+ |
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| InChI Key | ANVAOWXLWRTKGA-JLTXGRSLSA-N |
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| Chemical Taxonomy |
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| Description | belongs to the class of organic compounds known as carotenes. These are a type of unsaturated hydrocarbons containing eight consecutive isoprene units. They are characterized by the presence of two end-groups (mostly cyclohexene rings, but also cyclopentene rings or acyclic groups) linked by a long branched alkyl chain. Carotenes belonging form a subgroup of the carotenoids family. |
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| Kingdom | Organic compounds |
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| Super Class | Lipids and lipid-like molecules |
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| Class | Prenol lipids |
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| Sub Class | Tetraterpenoids |
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| Direct Parent | Carotenes |
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| Alternative Parents | |
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| Substituents | - Carotene
- Branched unsaturated hydrocarbon
- Cycloalkene
- Cyclic olefin
- Unsaturated aliphatic hydrocarbon
- Unsaturated hydrocarbon
- Olefin
- Hydrocarbon
- Aliphatic homomonocyclic compound
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| Molecular Framework | Aliphatic homomonocyclic compounds |
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| External Descriptors | |
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| Ontology |
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| Status | Expected but not Quantified |
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| Origin | |
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| Biofunction | Not Available |
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| Application | Not Available |
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| Cellular locations | - Cell membrane
- Cytoplasm
- Membrane
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| Physical Properties |
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| State | Solid |
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| Experimental Properties | | Property | Value | Reference |
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| Melting Point | 187.5 °C | Not Available | | Boiling Point | Not Available | Not Available | | Water Solubility | Not Available | Not Available | | LogP | Not Available | Not Available |
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| Predicted Properties | |
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| Spectra |
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| Spectra | |
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