| Record Information |
|---|
| Version | 1.0 |
|---|
| Creation Date | 2016-05-26 02:20:14 UTC |
|---|
| Update Date | 2016-11-09 01:19:11 UTC |
|---|
| Accession Number | CHEM031027 |
|---|
| Identification |
|---|
| Common Name | C.I. Natural green 5 |
|---|
| Class | Small Molecule |
|---|
| Description | Food and cosmetic colourant |
|---|
| Contaminant Sources | |
|---|
| Contaminant Type | Not Available |
|---|
| Chemical Structure | |
|---|
| Synonyms | | Value | Source |
|---|
| C.I. 75815 | HMDB | | Chlorophyllin copper complex | HMDB, MeSH | | e141 | HMDB | | Potassium-sodium-copper chlorophyllin | HMDB | | Sodium-potassium-copper chlorophyllin | HMDB | | Chlorophyllin, sodium cobalt complex | MeSH | | Chlorophyllin, zinc complex | MeSH | | Copper chlorophyll | MeSH | | Cu-CH | MeSH | | Cu-chlorin | MeSH | | Chlorophyllin | MeSH | | Chlorophyllin e4 | MeSH | | Chlorophyllin a | MeSH | | Chlorophyllin, copper complex | MeSH | | Chlorophyllin, sodium copper complex | MeSH | | Cuprofilin | MeSH | | Sodium cobalt chlorophyllin | MeSH | | Sodium iron chlorophyllin | MeSH | | Zinc chlorophyllin a | MeSH | | Cu-CHL-na | MeSH | | Chlorophyllin, sodium iron complex | MeSH | | Copper chlorophyllin | MeSH | | Sodium copper chlorophyllin | MeSH |
|
|---|
| Chemical Formula | C68H66Cu2N8O13 |
|---|
| Average Molecular Mass | 1330.389 g/mol |
|---|
| Monoisotopic Mass | 1328.334 g/mol |
|---|
| CAS Registry Number | Not Available |
|---|
| IUPAC Name | Not Available |
|---|
| Traditional Name | Not Available |
|---|
| SMILES | CCC1=C(C)C2=[N]3C1=CC1=C(C)C(C(O)=O)=C4N1[Cu]31N3C(=CC5=[N]1C(C(CCC(O)=O)C5C)=C4CC(O)=O)C(C)=C(C=C)C3=C2.CCC1=C(C=O)C2=[N]3C1=CC1=C(C)C(C(O)=O)=C4N1[Cu]31N3C(=CC5=[N]1C(C(CCC(O)=O)C5C)=C4CC(O)=O)C(C)=C(C=C)C3=C2 |
|---|
| InChI Identifier | InChI=1S/C34H34N4O7.C34H36N4O6.2Cu/c1-6-18-15(3)23-11-24-16(4)20(8-9-29(40)41)32(37-24)21(10-30(42)43)33-31(34(44)45)17(5)25(38-33)12-27-19(7-2)22(14-39)28(36-27)13-26(18)35-23;1-7-19-15(3)23-12-25-17(5)21(9-10-29(39)40)32(37-25)22(11-30(41)42)33-31(34(43)44)18(6)26(38-33)14-28-20(8-2)16(4)24(36-28)13-27(19)35-23;;/h6,11-14,16,20H,1,7-10H2,2-5H3,(H5,35,36,37,38,39,40,41,42,43,44,45);7,12-14,17,21H,1,8-11H2,2-6H3,(H5,35,36,37,38,39,40,41,42,43,44);;/q;;2*+2/p-4 |
|---|
| InChI Key | MEJFPNIVBALRRN-UHFFFAOYSA-J |
|---|
| Chemical Taxonomy |
|---|
| 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
- Tricarboxylic acid or derivatives
- Pyrrole-3-carboxylic acid or derivatives
- Pyrrole-3-carboxylic acid
- Substituted pyrrole
- Pyrrole
- Pyrroline
- Heteroaromatic compound
- Carboxylic acid salt
- Ketimine
- Organic 1,3-dipolar compound
- Propargyl-type 1,3-dipolar organic compound
- Organic transition metal salt
- Azacycle
- Enolate
- Carboxylic acid
- Carboxylic acid derivative
- Carbonyl group
- Organic zwitterion
- Organic salt
- Organooxygen compound
- Organonitrogen compound
- Organic copper salt
- Imine
- Hydrocarbon derivative
- Organic oxide
- Organopnictogen compound
- Organic oxygen compound
- Organic nitrogen compound
- Aromatic heteropolycyclic compound
|
|---|
| Molecular Framework | Not Available |
|---|
| External Descriptors | Not Available |
|---|
| Biological Properties |
|---|
| Status | Detected and Not Quantified |
|---|
| Origin | Not Available |
|---|
| Cellular Locations | Not Available |
|---|
| Biofluid Locations | Not Available |
|---|
| Tissue Locations | Not Available |
|---|
| Pathways | Not Available |
|---|
| Applications | Not Available |
|---|
| Biological Roles | Not Available |
|---|
| Chemical Roles | Not Available |
|---|
| Physical Properties |
|---|
| State | Not Available |
|---|
| Appearance | Not Available |
|---|
| Experimental Properties | | Property | Value |
|---|
| Melting Point | Not Available | | Boiling Point | Not Available | | Solubility | Not Available |
|
|---|
| Predicted Properties | |
|---|
| Spectra |
|---|
| Spectra | Not Available |
|---|
| Toxicity Profile |
|---|
| Route of Exposure | Not Available |
|---|
| Mechanism of Toxicity | Not Available |
|---|
| Metabolism | Not Available |
|---|
| Toxicity Values | Not Available |
|---|
| Lethal Dose | Not Available |
|---|
| Carcinogenicity (IARC Classification) | Not Available |
|---|
| Uses/Sources | Not Available |
|---|
| Minimum Risk Level | Not Available |
|---|
| Health Effects | Not Available |
|---|
| Symptoms | Not Available |
|---|
| Treatment | Not Available |
|---|
| Concentrations |
|---|
| Not Available |
|---|
| External Links |
|---|
| DrugBank ID | Not Available |
|---|
| HMDB ID | HMDB0037513 |
|---|
| FooDB ID | FDB016591 |
|---|
| Phenol Explorer ID | Not Available |
|---|
| KNApSAcK ID | Not Available |
|---|
| BiGG ID | Not Available |
|---|
| BioCyc ID | Not Available |
|---|
| METLIN ID | Not Available |
|---|
| PDB ID | Not Available |
|---|
| Wikipedia Link | Not Available |
|---|
| Chemspider ID | Not Available |
|---|
| ChEBI ID | Not Available |
|---|
| PubChem Compound ID | 131752201 |
|---|
| Kegg Compound ID | Not Available |
|---|
| YMDB ID | Not Available |
|---|
| ECMDB ID | Not Available |
|---|
| References |
|---|
| Synthesis Reference | Not Available |
|---|
| MSDS | Not Available |
|---|
| General References | Not Available |
|---|
