| Record Information |
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| Version | 1.0 |
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| Creation date | 2015-05-07 20:18:48 UTC |
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| Update date | 2019-11-26 03:21:55 UTC |
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| Primary ID | FDB030858 |
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| Secondary Accession Numbers | Not Available |
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| Chemical Information |
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| FooDB Name | ferrileghemoglobin |
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| Description | ferrileghemoglobin has been detected, but not quantified in, several different foods, such as winged beans (Psophocarpus tetragonolobus), jujubes (Ziziphus zizyphus), nuts, sweet oranges (Citrus sinensis), and yellow bell peppers (Capsicum annuum). This could make ferrileghemoglobin a potential biomarker for the consumption of these foods. Based on a literature review a small amount of articles have been published on ferrileghemoglobin. |
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| CAS Number | Not Available |
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| Structure | |
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| Synonyms | |
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| Predicted Properties | |
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| Chemical Formula | C36H36FeN4O2 |
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| IUPAC name | 10,15-diethenyl-5,9,14,19-tetramethyl-4,20-bis(3-oxobutyl)-2λ⁵,22,23λ⁵,25-tetraaza-1-ferraoctacyclo[11.9.1.1¹,⁸.1³,²¹.0²,⁶.0¹⁶,²³.0¹⁸,²².0¹¹,²⁵]pentacosa-2,4,6,8,10,12,14,16(23),17,19,21(24)-undecaene-1,1,1,2,23-pentakis(ylium) |
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| InChI Identifier | InChI=1S/C36H36N4O2.Fe/c1-9-25-21(5)29-15-30-23(7)27(13-11-19(3)41)35(39-30)18-36-28(14-12-20(4)42)24(8)32(40-36)17-34-26(10-2)22(6)31(38-34)16-33(25)37-29;/h9-10,15-18H,1-2,11-14H2,3-8H3;/q-2;+7/b29-15-,30-15-,31-16-,32-17-,33-16-,34-17-,35-18-,36-18-; |
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| InChI Key | VIJMEYIOPTVQKA-PVPKHRJZSA-N |
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| Isomeric SMILES | CC(=O)CCC1=C(C)C2=CC3=[N+]4C(=CC5=C(C=C)C(C)=C6C=C7C(C)=C(CCC(C)=O)C8=[N+]7[Fe+3]4(N2C1=C8)N56)C(C)=C3C=C |
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| Average Molecular Weight | 612.552 |
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| Monoisotopic Molecular Weight | 612.21602 |
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| Classification |
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| Classification | Not classified |
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| Ontology |
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| Ontology | No ontology term |
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| Physico-Chemical Properties |
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| Physico-Chemical Properties - Experimental | |
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| Spectra |
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| Spectra | Not Available |
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| External Links |
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| ChemSpider ID | Not Available |
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| ChEMBL ID | Not Available |
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| KEGG Compound ID | Not Available |
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| Pubchem Compound ID | Not Available |
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| Pubchem Substance ID | Not Available |
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| ChEBI ID | Not Available |
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| Phenol-Explorer ID | Not Available |
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| DrugBank ID | Not Available |
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| HMDB ID | Not Available |
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| CRC / DFC (Dictionary of Food Compounds) ID | Not Available |
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| EAFUS ID | Not Available |
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| Dr. Duke ID | Not Available |
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| BIGG ID | Not Available |
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| KNApSAcK ID | Not Available |
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| HET ID | Not Available |
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| Food Biomarker Ontology | Not Available |
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| VMH ID | Not Available |
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| Flavornet ID | Not Available |
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| GoodScent ID | Not Available |
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| SuperScent ID | Not Available |
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| Wikipedia ID | Not Available |
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| Phenol-Explorer Metabolite ID | Not Available |
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| Duplicate IDS | Not Available |
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| Old DFC IDS | Not Available |
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| Associated Foods |
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| Biological Effects and Interactions |
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| Health Effects / Bioactivities | Not Available |
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| Enzymes | Not Available |
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| Pathways | Not Available |
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| Metabolism | Not Available |
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| Biosynthesis | Not Available |
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| Organoleptic Properties |
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| Flavours | Not Available |
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| Files |
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| MSDS | Not Available |
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| References |
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| Synthesis Reference | Not Available |
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| General Reference | Not Available |
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| Content Reference | |
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