| Record Information |
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| Version | 1.0 |
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| Creation Date | 2016-10-03 18:35:29 UTC |
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| Update Date | 2020-04-22 15:49:27 UTC |
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| BMDB ID | BMDB0012281 |
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| Secondary Accession Numbers | |
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| Metabolite Identification |
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| Common Name | Portulacaxanthin II |
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| Description | Portulacaxanthin II belongs to the class of organic compounds known as tyrosine and derivatives. Tyrosine and derivatives are compounds containing tyrosine or a derivative thereof resulting from reaction of tyrosine at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom. Based on a literature review very few articles have been published on Portulacaxanthin II. |
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| Structure | |
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| Synonyms | | Value | Source |
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| Tyrosine-betaxanthin | HMDB | | (4E)-4-[(2E)-2-{[1-carboxy-2-(4-hydroxyphenyl)ethyl]imino}ethylidene]-1,2,3,4-tetrahydropyridine-2,6-dicarboxylate | Generator |
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| Chemical Formula | C18H18N2O7 |
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| Average Molecular Weight | 374.3447 |
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| Monoisotopic Molecular Weight | 374.11140094 |
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| IUPAC Name | (4E)-4-[(2E)-2-{[1-carboxy-2-(4-hydroxyphenyl)ethyl]imino}ethylidene]-1,2,3,4-tetrahydropyridine-2,6-dicarboxylic acid |
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| Traditional Name | (4E)-4-[(2E)-2-{[1-carboxy-2-(4-hydroxyphenyl)ethyl]imino}ethylidene]-2,3-dihydro-1H-pyridine-2,6-dicarboxylic acid |
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| CAS Registry Number | Not Available |
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| SMILES | OC(=O)C(CC1=CC=C(O)C=C1)\N=C\C=C1/CC(NC(=C1)C(O)=O)C(O)=O |
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| InChI Identifier | InChI=1S/C18H18N2O7/c21-12-3-1-10(2-4-12)7-13(16(22)23)19-6-5-11-8-14(17(24)25)20-15(9-11)18(26)27/h1-6,8,13,15,20-21H,7,9H2,(H,22,23)(H,24,25)(H,26,27)/b11-5-,19-6+ |
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| InChI Key | MBFJCQLVRQZZOV-KRDOMJLVSA-N |
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| Chemical Taxonomy |
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| Description | belongs to the class of organic compounds known as tyrosine and derivatives. Tyrosine and derivatives are compounds containing tyrosine or a derivative thereof resulting from reaction of tyrosine at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom. |
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| Kingdom | Organic compounds |
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| Super Class | Organic acids and derivatives |
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| Class | Carboxylic acids and derivatives |
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| Sub Class | Amino acids, peptides, and analogues |
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| Direct Parent | Tyrosine and derivatives |
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| Alternative Parents | |
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| Substituents | - Tyrosine or derivatives
- Phenylalanine or derivatives
- 3-phenylpropanoic-acid
- Alpha-amino acid
- Amphetamine or derivatives
- Tricarboxylic acid or derivatives
- 1-hydroxy-2-unsubstituted benzenoid
- Phenol
- Tetrahydropyridine
- Monocyclic benzene moiety
- Hydropyridine
- Benzenoid
- Amino acid
- Shiff base
- Aldimine
- Carboxylic acid
- Secondary aliphatic amine
- Enamine
- Azacycle
- Secondary amine
- Organoheterocyclic compound
- Organic 1,3-dipolar compound
- Propargyl-type 1,3-dipolar organic compound
- Organic oxide
- Organic oxygen compound
- Imine
- Organonitrogen compound
- Organooxygen compound
- Hydrocarbon derivative
- Organopnictogen compound
- Carbonyl group
- Organic nitrogen compound
- Amine
- Aromatic heteromonocyclic compound
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| Molecular Framework | Aromatic heteromonocyclic compounds |
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| External Descriptors | Not Available |
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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 | Not Available |
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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 | 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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| Spectra |
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| Spectra | |
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