chlorophyllin (Q379123)

chemical compound

Chlorophyllin coppered trisodium salt
Trisodium (2S-trans)-[18-carboxy-20-(carboxymethyl)-13-ethyl-2,3-dihydro-3,7,12,17-tetramethyl-8-vinyl-21H,23H-porphine-2-propionato(5-)-N21,N22,N23,N24]cuprate(3-)

Language	Label	Description	Also known as
default for all languages	No label defined
English	chlorophyllin	chemical compound	Chlorophyllin coppered trisodium salt Trisodium (2S-trans)-[18-carboxy-20-(carboxymethyl)-13-ethyl-2,3-dihydro-3,7,12,17-tetramethyl-8-vinyl-21H,23H-porphine-2-propionato(5-)-N21,N22,N23,N24]cuprate(3-)

Statements

instance of

type of chemical entity

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Chlorophyllin.png
809 × 845; 19 KB

criterion used

structure representation with unlabelled terminal carbon atoms

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Struktur Chlorophyllin.svg
687 × 649; 24 KB

criterion used

structure representation with labelled terminal carbon atoms

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image of molecular model or crystal lattice model

Chlorophyllin 3D spacefill.png
1,657 × 2,000; 679 KB

depicts

space-filling model

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chemical formula

C₃₄H₃₁CuN₄Na₃O₆

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imported from Wikimedia project

Italian Wikipedia

canonical SMILES

C=Cc1c(C)c2cc3nc(c(CC(=O)[O-])c4nc(cc5[n-]c(cc1[n-]2)c(C)c5CC)C(C)=C4C(=O)[O-])C(CCC(=O)[O-])C3C.[Cu+2].[Na+].[Na+].[Na+]

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based on heuristic

inferred from InChI

mass

723.1232650520002 dalton

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Chlorophyllin

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Identifiers

InChI

InChI=1S/C34H36N4O6.Cu.3Na/c1-7-19-15(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;;;;/h7,12-14,17,21H,1,8-11H2,2-6H3,(H5,35,36,37,38,39,40,41,42,43,44);;;;/q;+2;3*+1/p-5

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InChIKey

HWDGVJUIHRPKFR-UHFFFAOYSA-I

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CAS Registry Number

11006-34-1

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imported from Wikimedia project

Italian Wikipedia

ChemSpider ID

4586363

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imported from Wikimedia project

English Wikipedia

PubChem CID

23725082

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matched by identifier from

InChIKey

HWDGVJUIHRPKFR-UHFFFAOYSA-I

71306894

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matched by identifier from

InChIKey

HWDGVJUIHRPKFR-UHFFFAOYSA-I

108006

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matched by identifier from

InChIKey

HWDGVJUIHRPKFR-UHFFFAOYSA-I

4219753

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matched by identifier from

InChIKey

HWDGVJUIHRPKFR-UHFFFAOYSA-I

73440771

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matched by identifier from

InChIKey

HWDGVJUIHRPKFR-UHFFFAOYSA-I

58773742

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matched by identifier from

InChIKey

HWDGVJUIHRPKFR-UHFFFAOYSA-I

SureChEMBL ID

30367167

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matched by identifier from

InChIKey

HWDGVJUIHRPKFR-UHFFFAOYSA-I

29352227

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matched by identifier from

InChIKey

HWDGVJUIHRPKFR-UHFFFAOYSA-I

30099727

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matched by identifier from

InChIKey

HWDGVJUIHRPKFR-UHFFFAOYSA-I

DSSTox substance ID

DTXSID1045956

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DSSTOX compound identifier

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ECHA Substance Infocard database

ECHA Substance Infocard ID

100.031.117

retrieved

27 December 2018

title

Trisodium (2S-trans)-[18-carboxy-20-(carboxymethyl)-13-ethyl-2,3-dihydro-3,7,12,17-tetramethyl-8-vinyl-21H,23H-porphine-2-propionato(5-)-N21,N22,N23,N24]cuprate(3-) (English)

quotation

CAS no.: 11006-34-1 (English)

ECHA Substance Infocard ID

100.031.117

1 reference

stated in

ECHA Substance Infocard database

ECHA Substance Infocard ID

100.031.117

retrieved

27 December 2018

title

Trisodium (2S-trans)-[18-carboxy-20-(carboxymethyl)-13-ethyl-2,3-dihydro-3,7,12,17-tetramethyl-8-vinyl-21H,23H-porphine-2-propionato(5-)-N21,N22,N23,N24]cuprate(3-) (English)

quotation

CAS no.: 11006-34-1 (English)

Open Food Facts food additive ID

e141-copper-complexes-of-chlorophylls-and-chlorophyllins

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e140ii-chlorophyllins

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