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Chlorophyll a

HCID 12085802
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Grundinformationen

CAS
479-61-8
Standard-SMILES
C=Cc1c(C)c2cc3nc(c4c5[n-]c(cc6nc(cc1[n-]2)C(C)=C6CC)c(C)c5C(=O)[C@@H]4C(=O)OC)[C@@H](CCC(=O)OC/C=C(\C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)[C@@H]3C.[Mg+2]
InChIKey
ATNHDLDRLWWWCB-AENOIHSZSA-M
Summenformel
C55H72MgN4O5
Durchschnittliche Molmasse
893,5 g/mol
Monoisotopische Masse
892,5353131

Überblick

A form of chlorophyll that absorbs light in the violet to red spectrum (approximately 400-700 nm wavelength range) and reflects green light (500-570 nm wavelength), which imparts the characteristic green color to land plants. It is essential for oxygenic PHOTOSYNTHESIS.

Namen und Bezeichner

Bevorzugter Name
Chlorophyll A
IUPAC
magnesium methyl (3R,21S,22S)-16-ethenyl-11-ethyl-12,17,21,26-tetramethyl-4-oxo-22-[3-oxo-3-[(E,7R,11R)-3,7,11,15-tetramethylhexadec-2-enoxy]propyl]-23,25-diaza-7,24-diazanidahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-1,5,8(26),9,11,13(25),14,16,18,20(23)-decaene-3-carboxylate
Lokaler Name
Chlorophyll a
Englischer Name
Chlorophyll A
Summenformel
C55H72MgN4O5
Molmasse
893.49

Namen und Synonyme

chlorophyll a479-61-8C05306CHEBI:18230DTXSID90889346Magnesium, ((2E,7R,11R)-3,7,11,15-tetramethyl-2-hexadecenyl (3S,4S,21R)-9-ethenyl-14-ethyl-21-(methoxycarbonyl)-4,8,13,18-tetramethyl-20-oxo-3-phorbinepropanoato(2-)-kappaN23,kappaN24,kappaN25,kappaN26)-, (SP-4-2)-Magnesium, (3,7,11,15-tetramethyl-2-hexadecenyl 9-ethenyl-14-ethyl-21-(methoxycarbonyl)-4,8,13,18-tetramethyl-20-oxo-3-phorbinepropanoato(2-)-N23,N24,N25,N26)-, (SP-4-2-(3S-(3alpha(2E,7S*,11S*),4beta,21beta)))-RefChem:125482DTXCID501028608207-536-6(2S)-1-((4R,7S,10S,13S,16S,19R)-19-amino-7-(2-amino-2-oxo-ethyl)-10-(3-amino-3-oxo-propyl)-13-benzyl-16-((4-hydroxyphenyl)methyl)-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carbonyl)-N-((1S)-5-amino-1-((2-amino-2-oxo-ethyl)carbamoyl)pentyl)pyrrolidine-2-carboxamide;(2S)-1-((4R,7S,10S,13S,16S,19R)-19-amino-7-(2-amino-2-oxo-ethyl)-10-(3-amino-3-oxo-propyl)-13-benzyl-16-((4-hydroxyphenyl)methyl)-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carbonyl)-N-((1S)-1-((2-amino-2-oxo-ethyl)carbamoyl)-4-guanidino-butyl)pyrrolidine-2-carboxamide

Eigenschaften

Berechnete StruktureigenschaftenWird ergänzt

Polarare Oberfläche (TPSA)
96,4 Ų
H-Brücken-Donoren
0
H-Brücken-Akzeptoren
9
Frei drehbare Bindungen
22
Schwere Atome
65
Formalladung
0
Komplexität
2.130

Experimentelle und physikochemische Eigenschaften

Chemical ClassesBiological Agents -> Plant Oils and Extracts
Melting Point117 - 120 °C
Physical Description · 2 Einträge

Waxy blue-black solid; [Merck Index]

Solid

Physikochemische Eigenschaften

Schmelzpunkt
117 · 117-120°
storage temp.
-20 °C · -20°C
Löslichkeit
0.1 mg/10 · diethyl ether: soluble0.1mg/10 mL
Aggregatzustand
powder
Farbe
Green to Black Semi-Solid
Biologische Quelle
spinach
Merck
13 · 13,2174
BRN
3586237 · 3586237
Stabilität
Stable, but may discolour upon exposure to light. Incompatible with strong oxidizing agents. May be air sensitive.

Sicherheit und Regulatorisches

Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.

GHS-Klassifizierung

GHS Classification · 5 Einträge

This chemical does not meet GHS hazard criteria for 0.2% (3 of 1290) of reports.

Danger

H304 (99.7%): May be fatal if swallowed and enters airways [Danger Aspiration hazard]

P301+P316, P331, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 1290 reports by companies from 3 notifications to the ECHA C&L Inventory.

Gefahrenhinweise

Regulatory Information · 2 Einträge

Chemical: Magnesium, [3,7,11,15-tetramethyl-2-hexadecenyl 9-ethenyl-14-ethyl-21-(methoxycarbonyl)-4,8,13,18-tetramethyl-20-oxo-3-phorbinepropanoato(2-)-N23,N24,N25,N26]-, [SP-4-2-[3S-[3.alpha.(2E,7S*,11S*),4.beta.,21.beta.]]]-

Chlorophyll a: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.

Other Safety Information · 1 Eintrag

IMAP assessments - Magnesium, [3,7,11,15-tetramethyl-2-hexadecenyl 9-ethenyl-14-ethyl-21-(methoxycarbonyl)-4,8,13,18-tetramethyl-20-oxo-3-phorbinepropanoato(2-)-N23,N24,N25,N26]-, [SP-4-2-[3S-[3.alpha.(2E,7S*,11S*),4.beta.,21.beta.]]]-: Human health tier I assessment

Hazards SummaryMay cause irritation; [Sigma-Aldrich MSDS]
Hazard Classes and CategoriesAsp. Tox. 1 (99.7%)

Sicherheitsdaten

F
8-10-23
wgk
3
tsca
TSCA listed

Chemie und Industrie

Pharmakologische Informationen

Cellular LocationsMembrane

Verwendung und Herstellung

Uses · 2 Einträge

The green pigment in plants and algae; Used to color soaps, oils, fats, waxes, confectionery, preserves, cosmetics, liquors, and perfumes; Also used for dyeing leather, as a sensitizer for color film, and as a deodorant; [Merck Index] Permitted for use as an inert ingredient in non-food pesticide products; [EPA]

Leather Tanning and Processing [Category: Industry]

General Manufacturing InformationMagnesium, [(2E,7R,11R)-3,7,11,15-tetramethyl-2-hexadecenyl (3S,4S,21R)-9-ethenyl-14-ethyl-21-(methoxycarbonyl)-4,8,13,18-tetramethyl-20-oxo-3-phorbinepropanoato(2-)-.kappa.N23,.kappa.N24,.kappa.N25,.kappa.N26]-, (SP-4-2)-: ACTIVE
Anwendungen · 1 Eintrag

BeschreibungChlorophyll is the green pigment in plants that allows them to create energy from light – to photosynthesize. Chlorophyll A and B are two major types of chlorophyll found in plants and green algae. Both are involved in the process photosynthesis. Both chlorophyll A and B are found in chloroplasts, associated with integral membrane proteins in the thylakoid membrane. The main difference between chlorophyll A and B is their role in photosynthesis chlorophyll A is the principal pigment involved in the photosynthesis whereas chlorophyll B is the accessory pigment, collecting the energy in order to pass into chlorophyll A. In chlorophyll A, the most effectively absorbing wavelengths of the spectrum are 429 nm and 659 nm, which are responsible for violet-blue and orange-red colors, respectively.

Vor- und nachgelagerte Produkte

Vorgelagerte Rohstoffe

STINGING NETTLE

Zugehörige Reaktionen

3
Reaktionsaufzeichnung erstellen
Reaktionsgleichung von HRID 436713
HRID 436713als Eduktuspto-grants-1977_06
Reaktionsgleichung von HRID 1801431
HRID 1801431als Eduktuspto-grants-2013_01
Reaktionsgleichung von HRID 1801432
HRID 1801432als Eduktuspto-grants-2013_01

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Weitere Namen anzeigen
CholrophyllphotosynthesisChlorophyl pasteCONTAMINON(R) CLALPHA-CHLOROPHYLChlorophyll,pastePaste chlorophyllCHLOROPHYLL A(SH)
Chlorophyll a (Technical Grade)magnesium;methyl (3R,21S,22S)-16-ethenyl-11-ethyl-12,17,21,26-tetramethyl-4-oxo-22-[3-oxo-3-[(E,7R,11R)-3,7,11,15-tetramethylhexadec-2-enoxy]propyl]-23,25-diaza-7,24-diazanidahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-1,5,8(26),9,11,13(25),14,16,18,20(23)-decaene-3-carboxylateMFCD00079050Chlorophyll a, from spinachorb1680008Chlorophyll a, analytical standardMSK156783AKOS025311474

Datenbank-Bezeichner

CAS
479-61-8
PubChem CID
12085802
DTXSID
DTXSID90889346
EC Number
207-536-6
Major Application
cleaning productscosmeticsfood and beveragespersonal care
InChIKey
ATNHDLDRLWWWCB-AENOIHSZSA-M
SMILES
CCc1c(C)c2cc3c(C=C)c(C)c4cc5nc([C@@H](CCC(=O)OC\C=C(/C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)[C@@H]5C)c6[C@@H](C(=O)OC)C(=O)c7c(C)c(cc1n2)n([Mg]n34)c67
LogP
16.534 · 16.534 (est)
EPA chemische Informationen
Chlorophyll a (479-61-8)
hs_code
29339900
RTECS-Nr.
FW6420000
safety_code
22-24/25
Speicherklasse
11 - Combustible Solids
3,7,11,15-Tetramethylhexadecan-1,2,3-triol
Saccharose
Trichlorethylen
Trikaliumorthophosphat
Trinatrium-(2S-trans)-[18-carboxy-20-(carboxymethyl)-13-ethyl-12-formyl-2,3-dihydro-3,7,17-trimethyl-8-vinyl-21H,23H-porphin-2-propionato(5-)-N21,N22,N23,N24]cuprat(3-)
Industrial ethanol
Propan-2-ol

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Ergänzende Hinweise · 1 Eintrag

DefinitionChlorophyll A is a form of chlorophyll that absorbs light in the violet to red spectrum (approximately 400-700 nm wavelength range) and reflects green light (500-570 nm wavelength), which imparts the characteristic green color to land plants. It is occurs in all photosynthetic organisms and is the major species in all of those that evolve oxygen.