Chlorophylls and Chlorophyllins

Relevant Data

Food Additives Approved by WHO:

General Information

Chemical nameChlorophylls and Chlorophyllins
E No.E 140
INS.140
CAS number479-61-8 (CHLOROPHYLL A); 519-62-0 (B)
GroupNo
Component of the group Group II, Food colours authorised at quantum satis (Group II)

From webgate.ec.europa.eu

Authorisation of the use of this additive in Food Additives

The additive is authorised to be used in the following category(ies):
category(ies) Individual restriction(s)/exception(s) footnote
  • Ripened cheese (1.7.2)(legislation:1129/2011, applicable as from 01/06/2013)
  • quantum satis , only sage derby cheese
  • Dried fruit and vegetables (4.2.1)(legislation:1129/2011, applicable as from 01/06/2013)

  • Canned or bottled fruit and vegetables (4.2.3)(legislation:1129/2011, applicable as from 01/06/2013)

  • Fruit and vegetable preparations excluding compote (4.2.4.1)(legislation:1129/2011, applicable as from 01/06/2013)
  • quantum satis , only preserves of red fruit
  • Fruit and vegetables in vinegar, oil, or brine (4.2.2)(legislation:1129/2011, applicable as from 01/06/2013)
  • quantum satis , only preserves of red fruit

  • quantum satis , only vegetables (excluding olives)
  • Jam, jellies and marmalades and sweetened chestnut puree as defined by Directive 2001/113/EC (4.2.5.2)(legislation:1129/2011, applicable as from 01/06/2013)
  • quantum satis , except chestnut puree
  • Processed fish and fisheries products including molluscs and crustaceans (9.2)(legislation:1129/2011, applicable as from 01/06/2013)
  • quantum satis , only fish paste and crustacean paste

  • quantum satis , only precooked crustacean

From webgate.ec.europa.eu

Computed Descriptors

Download SDF
2D Structure
CID12085802
IUPAC Name
InChIInChI=1S/C55H73N4O5.Mg/c1-13-39-35(8)42-28-44-37(10)41(24-25-48(60)64-27-26-34(7)23-17-22-33(6)21-16-20-32(5)19-15-18-31(3)4)52(58-44)50-51(55(62)63-12)54(61)49-38(11)45(59-53(49)50)30-47-40(14-2)36(9)43(57-47)29-46(39)56-42;/h13,26,28-33,37,41,51H,1,14-25,27H2,2-12H3,(H-,56,57,58,59,61);/q-1;+2/p-1/b34-26+;/t32-,33-,37+,41+,51-;/m1./s1
InChI KeyATNHDLDRLWWWCB-AENOIHSZSA-M
Canonical SMILESCCC1=C(C2=NC1=CC3=C(C4=C([N-]3)C(=C5C(C(C(=N5)C=C6C(=C(C(=C2)[N-]6)C=C)C)C)CCC(=O)OCC=C(C)CCCC(C)CCCC(C)CCCC(C)C)C(C4=O)C(=O)OC)C)C.[Mg+2]
Molecular FormulaC55H72MgN4O5
WikipediaChlorophyll a

From Pubchem

Computed Properties

Property Name Property Value
Molecular Weight893.509
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count9
Rotatable Bond Count22
Complexity2130.0
CACTVS Substructure Key Fingerprint A A A D c f B / u A A A A C A A A A A A A A A A A A A A A e I E C B A A A A A A A A A W A A C B g A A A H g A A A A A A D Q y h n g I C i J I I F A C o A 6 T y T A C C g C A l A i A I m C E w R N g I J H 7 I t Z G G E Y h k 4 A D I 6 U e 8 2 f O e g A A A A A A A A A A A A A A A A A A A A S A A A Q A A A A = =
Topological Polar Surface Area96.4
Monoisotopic Mass892.535
Exact Mass892.535
Compound Is CanonicalizedTrue
Formal Charge0
Heavy Atom Count65
Defined Atom Stereocenter Count5
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Isotope Atom Count0
Covalently-Bonded Unit Count2

From Pubchem

Taxonomic Classification

KingdomOrganic compounds
SuperclassOrganoheterocyclic compounds
ClassTetrapyrroles and derivatives
SubclassChlorins
Intermediate Tree NodesNot available
Direct ParentChlorins
Alternative Parents
Molecular FrameworkAromatic heteropolycyclic compounds
SubstituentsChlorin - Metallotetrapyrrole skeleton - Phorbine skeleton - Diterpenoid - Aryl ketone - Aryl alkyl ketone - Fatty acid ester - Dicarboxylic acid or derivatives - Substituted pyrrole - 1,3-dicarbonyl compound - Fatty acyl - Heteroaromatic compound - Methyl ester - Pyrrole - Carboxylic acid ester - Ketone - Azacycle - Carboxylic acid derivative - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic salt - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organic zwitterion - Carbonyl group - Aromatic heteropolycyclic compound
DescriptionThis compound 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.

From ClassyFire