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기본 정보
- CAS
506-37-6- 표준 SMILES
CCCCCCCC/C=C\CCCCCCCCCCCCCC(=O)O- InChIKey
GWHCXVQVJPWHRF-KTKRTIGZSA-N- 분자식
- C24H46O2
- 평균 분자량
- 366.6 g/mol
- 단동위원소 질량
- 366.34978071
개요
(15Z)-tetracosenoic acid is a tetracosenoic acid having a cis-double bond at position 15. It is a conjugate acid of a (15Z)-tetracosenoate.
이름 및 식별자
- 우선 이름
- Nervonic Acid
- IUPAC
- (Z)-tetracos-15-enoic acid
- 영어명
- Nervonic acid
- 분자식
- C24H46O2
- 분자량
- 366.62
이름 및 동의어
Nervonic acid506-37-6(Z)-tetracos-15-enoic acidcis-15-tetracosenoic acid(Z)-15-Tetracosenoic acid(15Z)-Tetracosenoic acid15Z-tetracosenoic acid91OQS788BENevonic acidCHEBI:44247DTXSID80100930824:1(N-9)
이름 더 보기
15-TETRACOSENOIC ACIDtetracosenic acidSELACHOLEIC ACIDselacholeicNervonic acicis-15-Teracosenoic acidneuro acidNeural acid
RefChem:43200Fatty Acid 24:1 n-9DTXCID60810889DTXSID40862068DTXCID001436135610-549-3Tetracos-15-enoic acid(15Z)-tetracos-15-enoic acid
데이터베이스 식별자
- CAS
506-37-6- PubChem CID
- 5281120
- DTXSID
DTXSID801009308- ChEMBL
CHEMBL1173379- ChEBI
CHEBI:44247- UNII
- 91OQS788BE
- EC Number
- 610-549-3
- Nikkaji
- J11.357C
물성
구조 계산 물성보충 중
- XLogP
- 9.8
- 극성 표면적
- 37.3 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 2
- 회전 가능 결합 수
- 21
- 무거운 원자 수
- 26
- 형식 전하
- 0
- 복잡도
- 309
실험 및 물리화학적 성질
Lipids
Lipids -> Unambiguous Lipids
Fatty Acyls [FA] -> Fatty Acids and Conjugates [FA01] -> Unsaturated fatty acids [FA0103]
Physical DescriptionLiquid
Collision Cross Section
196.9 Ų [M-H]- [CCS Type: DT; Buffer gas: N2; Sample Type: Human bronchoalveolar lavage fluid (BALF); Dataset: Unambiguous Lipids]
196.32 Ų [M-H]- [CCS Type: DT; Method: single field calibrated with Agilent tune mix (Agilent)]
192.17 Ų [M-H]- [CCS Type: TIMS; Method: single field calibrated]
197.3 Ų [M-H]-
물리화학적 성질
- 녹는점
- 42 · 42-43 °C (lit.)
- 끓는 점
- 459.84 °C · 459.84°C (rough estimate)
- 밀도
- 0.9009 · 0.9009 (rough estimate)
- 굴절률
- 1.4806 · 1.4806 (estimate)
- 인화점
- 230 °F · >230 °F
- 저장 조건
- -20 °C · -20°C
- 용해도
- 클로로포름(약간 용해됨), 헥산(매우 소량)
- 산도 계수 (pKa)
- 4.78 · 4.78±0.10(Predicted)
- 물리적 상태
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 2.3% (1 of 44) of reports.
Warning
H315 (97.7%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 44 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Hazard Classes and CategoriesSkin Irrit. 2 (97.7%)
안전 데이터
- wgk
- 3
- HS 번호
- 2916.19.3000
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 26-36
- F 고인화성물질
- 8-10
- 스토리지 클래스
- 11 - Combustible Solids
화학 및 산업
약리 정보
Tissue LocationsPlacenta
Cellular LocationsCytoplasm
응용 분야
개요Nervonic acid, also known as shark oil acid, is a monounsaturated omega-9 fatty acid that exists in nerve tissue and fish oil. It was first discovered in shark brain and is a component of cerebroside, the main source of in shark brain and shark oil. It is also found in the sphingolipids of white matter in human brain.
출처Nervonic acid is abundant in King Salmon ( Chinook ) with 140 mg/100g, yellow mustard seed 83 mg/100g , flax seed 64 mg/ 100g, Sockeye salmon 40 mg/100g, sesame seed 35mg/100g, and macademia nuts 18 mg/100g.
일반 설명Nervonic acids are the products of desaturation and elongation processes of various fatty acids such as palmitic acid, stearic acid, oleic acid, etc.
제조 방법
Nervonic acid was shown to be identical with selachaleic acid isolated from whale oils. It is obvious that nervonic acid is probably the cis form of erucylacetic acid. Erucylacetic acid has been prepared from erucyl alcohol through the bromide and malonic ester synthesis and has been shown to be identical with nervonic acid obtained from hydrolysis of the cerebroside isolated from human brains.Nervonic acid is also produced from oleic acid, that undergoes three consecutive chain elongation steps, catalyzed by elongases.Two carbon units are added in each step, with production of gadoleic acid, erucic acid, and finally, nervonic acid.
상·하류 제품 정보
상류 원료
관련 반응
4건
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