스테아리도닉산

Stearidonic Acid

HCID 5312508CAS 20290-75-9

기본 정보

표준 SMILES: CC/C=C\C/C=C\C/C=C\C/C=C\CCCCC(=O)O
InChIKey: JIWBIWFOSCKQMA-LTKCOYKYSA-N
분자식: C18H28O2
평균 분자량: 276.4 g/mol
단동위원소 질량: 276.20893014

개요

All-cis-octadeca-6,9,12,15-tetraenoic acid is an octadecatetraenoic acid having four double bonds located at positions 6, 9, 12 and 15 (the all-cis-isomer). It has been isolated from Lithospermum officinale and fish oils. It has a role as a mouse metabolite, a plant metabolite and a Daphnia galeata metabolite. It is a long-chain fatty acid, an omega-3 fatty acid and an octadecatetraenoic acid. It is a conjugate acid of a (6Z,9Z,12Z,15Z)-octadecatetraenoate.

이름 및 식별자

우선 이름: Stearidonic Acid
IUPAC: (6Z,9Z,12Z,15Z)-octadeca-6,9,12,15-tetraenoic acid
현지명: 스테아리도닉산
영어명: STEARIDONIC ACID
분자식: C18H28O2
분자량: 276.41

이름 및 동의어

Stearidonic acid20290-75-96Z,9Z,12Z,15Z-octadecatetraenoic acidP4CEK3495ORefChem:185402Moroctic acid(6Z,9Z,12Z,15Z)-octadeca-6,9,12,15-tetraenoic acid6,9,12,15-Octadecatetraenoic acid, (6Z,9Z,12Z,15Z)-(6Z,9Z,12Z,15Z)-Octadecatetraenoic acidFA 18:4all-cis-6,9,12,15-Octadecatetraenoic acid111174-40-4

이름 더 보기

스테아리도닉산18:4ω318:4(n-3)Chebi:32389Stearidonic Acid (Moroctic Acid)6C,9C,12C,15C-OCTADECATETRAENOIC ACID

all-cis-octadeca-6,9,12,15-tetraenoic acidUNII-P4CEK3495O6cis Stearidonic acidstearidonic acid C18:4Stearidonic acid, >=99%SCHEMBL29226STEARIDONIC ACID [MI]CHEMBL484430

데이터베이스 식별자

CAS: 20290-75-9
PubChem CID: 5312508
DTXSID: DTXSID20920493
ChEMBL: CHEMBL484430
ChEBI: CHEBI:32389
UNII: P4CEK3495O
EC Number: 606-502-1
Nikkaji: J381.480G

물성

구조 계산 물성

XLogP: 5.2
극성 표면적: 37.3 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 2
회전 가능 결합 수: 12
무거운 원자 수: 20
형식 전하: 0
복잡도: 335

실험 및 물리화학적 성질

Lipids · 2건

Lipids -> Unambiguous Lipids

Fatty Acyls [FA] -> Fatty Acids and Conjugates [FA01] -> Unsaturated fatty acids [FA0103]

Endocrine DisruptorsPotential endocrine disrupting compound

Physical DescriptionLiquid

Collision Cross Section174.8 Å² [M-H]- [CCS Type: DT; Buffer gas: N2; Sample Type: Human plasma; Dataset: Unambiguous Lipids]

물리화학적 성질

녹는점: 200 ℃ · 200℃ (decomposition)
끓는 점: 382.5 · 382.5±11.0 °C(Predicted)
밀도: 0.9334 g/cm3 · 0.9334 g/cm3 (15 ºC)
굴절률: 1.493 · 1.4930 (589.3 nm 15℃)
인화점: 17 °C · 17 °C
저장 조건: -20 °C · -20°C
용해도: 클로로포름(약간 용해됨)
물리적 상태: 액체
산도 계수 (pKa): 4.74 · 4.74±0.10(Predicted)
색상: 무색투명~연황색
안정성: 감광성
InChI: 1S/C18H28O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h3-4,6-7,9-10,12-13H,2,5,8,11,14-17H2,1H3,(H,19,20)/b4-3-,7-6-,10-9-,13-12-
InChIKey: JIWBIWFOSCKQMA-LTKCOYKYSA-N
SMILES: CC\C=C/C\C=C/C\C=C/C\C=C/CCCCC(O)=O
LogP: 5.89 · 5.890 (est)

화학적 성질

Light Yellow Oil

안전 및 규제

안전 데이터

wgk: 3
ridadr: UN 1170 3/PG 2
risk_code: 11
hazard_code: F
safety_code: 7-16
스토리지 클래스: 10 - Combustible liquids

화학 및 산업

약리 정보

Tissue LocationsPlacenta

Cellular LocationsExtracellular

Metabolite Pathwaysalpha-Linolenic acid metabolism

응용 분야 · 2건

개요Stearidonic acid (SDA) is an ω-3 fatty acid, sometimes called moroctic acid. It is biosynthesized from alpha-linolenic acid by the enzyme delta-6-desaturase. Natural sources of this fatty acid are the seed oils of hemp, blackcurrant, corn gromwell and echium, and the cyanobacterium Spirulina.

용도A 18-carbon, ω-3 fatty acid which is a dietary precursor to eicosapentaenoic acid (EPA) and docosahexaenoic acid (DHA). Stearidonic acid is present in small amounts in seed oils.

공급사44 곳

陕西缔都医药有限责任公司029-81124775 17791530730 · [email protected]

艾吉析科技（上海）有限公司17717235263 · [email protected]

成都彼样生物科技有限公司18108052721 · [email protected]

广州佳途科技股份有限公司81960175 18933936954 · [email protected]

上海优宁维生物科技股份有限公司15921930842 15921930842 · [email protected]

추가 설명

정의ChEBI: An octadecatetraenoic acid having four double bonds located at positions 6, 9, 12 and 15 (the all-cis-isomer). It has been isolated from Lithospermum officinale and fish oils.