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기본 정보
- CAS
479-61-8- 표준 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- 분자식
- C55H72MgN4O5
- 평균 분자량
- 893.5 g/mol
- 단동위원소 질량
- 892.5353131
개요
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.
이름 및 식별자
- 우선 이름
- 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
- 영어명
- Chlorophyll A
- 분자식
- C55H72MgN4O5
- 분자량
- 893.49
이름 및 동의어
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
물성
구조 계산 물성보충 중
- 극성 표면적
- 96.4 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 9
- 회전 가능 결합 수
- 22
- 무거운 원자 수
- 65
- 형식 전하
- 0
- 복잡도
- 2,130
실험 및 물리화학적 성질
Chemical ClassesBiological Agents -> Plant Oils and Extracts
Melting Point117 - 120 °C
Physical Description
Waxy blue-black solid; [Merck Index]
Solid
물리화학적 성질
- 녹는점
- 117 · 117-120°
- 저장 조건
- -20 °C · -20°C
- 용해도
- 0.1 mg/10mL · 디에틸 에테르: 용해성0.1mg/10mL
- 물리적 상태
- 가루
- 색상
- 녹색에서 검은색 반고체
- 생물학적 소스
- spinach
- Merck
- 13 · 13,2174
- BRN
- 3586237 · 3586237
- 안정성
- 안정적이지만 빛에 노출되면 변색될 수 있습니다. 강한 산화제와 호환되지 않습니다. 공기에 민감할 수.
- 주요 응용
- 청소용품화장품음식 및 음료개인 위생 관리
- 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
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
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.
유해성 정보
Regulatory Information
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
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%)
안전 데이터
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- FW6420000
- HS 번호
- 29339900
- safety_code
- 22-24/25
- F 고인화성물질
화학 및 산업
약리 정보
Cellular LocationsMembrane
용도 및 제조
Uses
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
응용 분야
개요Chlorophyll 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.
일반 설명Chlorophyll a is present as a key pigment in organisms with oxygenic photosynthesis. It functions as an antenna pigment in both reaction centers I and II.
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