| Record Information |
|---|
| Version | 1.0 |
|---|
| Creation date | 2015-05-07 19:39:10 UTC |
|---|
| Update date | 2019-11-26 03:21:50 UTC |
|---|
| Primary ID | FDB030630 |
|---|
| Secondary Accession Numbers | Not Available |
|---|
| Chemical Information |
|---|
| FooDB Name | 71-hydroxychlorophyllide a |
|---|
| Description | 71-hydroxychlorophyllide a belongs to the class of organic compounds known as chlorins. These are large heterocyclic aromatic ring systems consisting, at the core, of three pyrroles and one pyrroline coupled through four methine linkages. 71-hydroxychlorophyllide a is possibly neutral. 71-hydroxychlorophyllide a has been detected, but not quantified in, several different foods, such as cinnamons, sorghums, alaska blueberries, brassicas, and evening primroses. This could make 71-hydroxychlorophyllide a a potential biomarker for the consumption of these foods. |
|---|
| CAS Number | Not Available |
|---|
| Structure | |
|---|
| Synonyms | |
|---|
| Predicted Properties | |
|---|
| Chemical Formula | C35H33MgN4O6 |
|---|
| IUPAC name | 3-[17-ethenyl-12-ethyl-13-(hydroxymethyl)-5-(methoxycarbonyl)-8,18,22-trimethyl-6-oxo-2,25λ⁴,26λ⁴,27-tetraaza-1-magnesanonacyclo[12.11.1.1¹,¹⁶.0²,⁹.0³,⁷.0⁴,²⁴.0¹¹,²⁶.0²¹,²⁵.0¹⁹,²⁷]heptacosa-3,7,9,11(26),12,14,16,18,20,24-decaen-23-yl]propanoate |
|---|
| InChI Identifier | InChI=1S/C35H36N4O6.Mg/c1-7-18-15(3)22-11-23-16(4)20(9-10-28(41)42)32(38-23)30-31(35(44)45-6)34(43)29-17(5)24(39-33(29)30)12-26-19(8-2)21(14-40)27(37-26)13-25(18)36-22;/h7,11-13,16,20,31,40H,1,8-10,14H2,2-6H3,(H3,36,37,38,39,41,42,43);/q;+2/p-3 |
|---|
| InChI Key | QCWXXDQFRHDXNM-UHFFFAOYSA-K |
|---|
| Isomeric SMILES | CCC1=C(CO)C2=CC3=C(C=C)C(C)=C4C=C5C(C)C(CCC([O-])=O)C6=[N]5[Mg]5(N34)N3C(=CC1=[N]25)C(C)=C1C(=O)C(C(=O)OC)C6=C31 |
|---|
| Average Molecular Weight | 629.977 |
|---|
| Monoisotopic Molecular Weight | 629.22560008 |
|---|
| Classification |
|---|
| Description | Belongs to the class of organic compounds known as chlorins. These are large heterocyclic aromatic ring systems consisting, at the core, of three pyrroles and one pyrroline coupled through four methine linkages. |
|---|
| Kingdom | Organic compounds |
|---|
| Super Class | Organoheterocyclic compounds |
|---|
| Class | Tetrapyrroles and derivatives |
|---|
| Sub Class | Chlorins |
|---|
| Direct Parent | Chlorins |
|---|
| Alternative Parents | |
|---|
| Substituents | - Chlorin
- Metallotetrapyrrole skeleton
- Phorbine skeleton
- Aryl ketone
- Aryl alkyl ketone
- Dicarboxylic acid or derivatives
- Substituted pyrrole
- 1,3-dicarbonyl compound
- Heteroaromatic compound
- Methyl ester
- Pyrrole
- Carboxylic acid ester
- Carboxylic acid salt
- Ketone
- Azacycle
- Carboxylic acid derivative
- Carboxylic acid
- Hydrocarbon derivative
- Organic salt
- Primary alcohol
- Organooxygen compound
- Organonitrogen compound
- Organic oxygen compound
- Alcohol
- Organic nitrogen compound
- Aromatic alcohol
- Carbonyl group
- Organopnictogen compound
- Organic oxide
- Organic anion
- Aromatic heteropolycyclic compound
|
|---|
| Molecular Framework | Aromatic heteropolycyclic compounds |
|---|
| External Descriptors | Not Available |
|---|
| Ontology |
|---|
| Ontology | No ontology term |
|---|
| Physico-Chemical Properties |
|---|
| Physico-Chemical Properties - Experimental | |
|---|
| Spectra |
|---|
| Spectra | Not Available |
|---|
| External Links |
|---|
| ChemSpider ID | Not Available |
|---|
| ChEMBL ID | Not Available |
|---|
| KEGG Compound ID | Not Available |
|---|
| Pubchem Compound ID | Not Available |
|---|
| Pubchem Substance ID | Not Available |
|---|
| ChEBI ID | Not Available |
|---|
| Phenol-Explorer ID | Not Available |
|---|
| DrugBank ID | Not Available |
|---|
| HMDB ID | Not Available |
|---|
| CRC / DFC (Dictionary of Food Compounds) ID | Not Available |
|---|
| EAFUS ID | Not Available |
|---|
| Dr. Duke ID | Not Available |
|---|
| BIGG ID | Not Available |
|---|
| KNApSAcK ID | Not Available |
|---|
| HET ID | Not Available |
|---|
| Food Biomarker Ontology | Not Available |
|---|
| VMH ID | Not Available |
|---|
| Flavornet ID | Not Available |
|---|
| GoodScent ID | Not Available |
|---|
| SuperScent ID | Not Available |
|---|
| Wikipedia ID | Not Available |
|---|
| Phenol-Explorer Metabolite ID | Not Available |
|---|
| Duplicate IDS | Not Available |
|---|
| Old DFC IDS | Not Available |
|---|
| Associated Foods |
|---|
|
| Biological Effects and Interactions |
|---|
| Health Effects / Bioactivities | Not Available |
|---|
| Enzymes | Not Available |
|---|
| Pathways | Not Available |
|---|
| Metabolism | Not Available |
|---|
| Biosynthesis | Not Available |
|---|
| Organoleptic Properties |
|---|
| Flavours | Not Available |
|---|
| Files |
|---|
| MSDS | Not Available |
|---|
| References |
|---|
| Synthesis Reference | Not Available |
|---|
| General Reference | Not Available |
|---|
| Content Reference | |
|---|
