| Record Information |
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| Version | 2.0 |
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| Created at | 2024-09-09 23:15:04 UTC |
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| Updated at | 2024-09-09 23:15:04 UTC |
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| NP-MRD ID | NP0334343 |
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| Secondary Accession Numbers | None |
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| Natural Product Identification |
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| Common Name | 9'-cis-neurosporene |
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| Description | 9'-Cis-neurosporene is a member of the class of compounds known as carotenes. Carotenes 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. 9'-Cis-neurosporene can be found in a number of food items such as cloudberry, potato, tinda, and pummelo, which makes 9'-cis-neurosporene a potential biomarker for the consumption of these food products. |
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| Structure | [H]\C(CC\C(C)=C(/[H])\C(\[H])=C(/[H])\C(\C)=C(\[H])/C(/[H])=C(\[H])/C(/[H])=C(/C)\C(\[H])=C(/[H])\C(\[H])=C(\C)C([H])=C([H])C(\[H])=C(\C)CCC=C(C)C)=C(/C)CCC=C(C)C InChI=1S/C40H58/c1-33(2)19-13-23-37(7)27-17-31-39(9)29-15-25-35(5)21-11-12-22-36(6)26-16-30-40(10)32-18-28-38(8)24-14-20-34(3)4/h11-12,15-17,19-22,25-31H,13-14,18,23-24,32H2,1-10H3/b12-11+,25-15+,26-16+,31-17+,35-21-,36-22-,37-27-,38-28-,39-29-,40-30+ |
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| Synonyms | Not Available |
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| Chemical Formula | C40H58 |
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| Average Mass | 538.9040 Da |
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| Monoisotopic Mass | 538.45385 Da |
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| IUPAC Name | (6Z,10Z,12E,14Z,16E,18Z,20E,22E,26Z)-2,6,10,14,19,23,27,31-octamethyldotriaconta-2,6,8,10,12,14,16,18,20,22,26,30-dodecaene |
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| Traditional Name | (6Z,10Z,12E,14Z,16E,18Z,20E,22E,26Z)-2,6,10,14,19,23,27,31-octamethyldotriaconta-2,6,8,10,12,14,16,18,20,22,26,30-dodecaene |
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| CAS Registry Number | Not Available |
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| SMILES | [H]\C(CC\C(C)=C(/[H])\C(\[H])=C(/[H])\C(\C)=C(\[H])/C(/[H])=C(\[H])/C(/[H])=C(/C)\C(\[H])=C(/[H])\C(\[H])=C(\C)C([H])=C([H])C(\[H])=C(\C)CCC=C(C)C)=C(/C)CCC=C(C)C |
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| InChI Identifier | InChI=1S/C40H58/c1-33(2)19-13-23-37(7)27-17-31-39(9)29-15-25-35(5)21-11-12-22-36(6)26-16-30-40(10)32-18-28-38(8)24-14-20-34(3)4/h11-12,15-17,19-22,25-31H,13-14,18,23-24,32H2,1-10H3/b12-11+,25-15+,26-16+,31-17+,35-21-,36-22-,37-27-,38-28-,39-29-,40-30+ |
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| InChI Key | ATCICVFRSJQYDV-IZHISENJSA-N |
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| Experimental Spectra |
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| Not Available | | Predicted Spectra |
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| Not Available | | Chemical Shift Submissions |
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| Not Available | | Species |
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| Species of Origin | Not Available |
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| Chemical Taxonomy |
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| Description | This compound 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
- Unsaturated aliphatic hydrocarbon
- Unsaturated hydrocarbon
- Olefin
- Hydrocarbon
- Aliphatic acyclic compound
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| Molecular Framework | Aliphatic acyclic compounds |
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| External Descriptors | Not Available |
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| Physical Properties |
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| State | Not Available |
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| Experimental Properties | | Property | Value | Reference |
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| Melting Point | Not Available | 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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