Pristanic acid

HCID 123929CAS 1189-37-3

기본 정보

표준 SMILES: CC(C)CCCC(C)CCCC(C)CCCC(C)C(=O)O
InChIKey: PAHGJZDQXIOYTH-UHFFFAOYSA-N
분자식: C19H38O2
평균 분자량: 298.5 g/mol
단동위원소 질량: 298.28718046

개요

Pristanic acid is a branched, long-chain saturated fatty acid composed of pentadecanoic acid having methyl substituents at the 2-, 6-, 10- and 14-positions. It has a role as a human metabolite. It is a long-chain fatty acid, a branched-chain saturated fatty acid and a methyl-branched fatty acid. It is a conjugate acid of a pristanate.

이름 및 식별자

우선 이름: Pristanic acid
IUPAC: 2,6,10,14-tetramethylpentadecanoic acid
영어명: PRISTANIC ACID
분자식: C19H38O2
분자량: 298.5

이름 및 동의어

pristanic acid1189-37-32,6,10,14-Tetramethylpentadecanoic acid2,6,10,14-tetramethyl-pentadecanoic acid5FMQ2908APCHEBI:51340DTXSID00862584Pentadecanoic acid, 2,6,10,14-tetramethyl-RefChem:176030DTXCID508113252,6,10, 14-tetramethylpentadecanoic acidPentadecanoic acid,2,6,10,14-tetramethyl-

이름 더 보기

pristanic acid solutionPAHGJZDQXIOYTH-UHFFFAOYSA-N2,6,10,14-Tetramethylhexadecanoic acidPRISTANIC ACID SOLUTION, MIXTURE OF ISOMERS, ETHANOL SOLUTIONPristanic acid solution,2,6,10,14-Tetramethylpentadecanoic acid

pristanic acid-d3(2S,6R,10R)-pristanic acidPristaninsaeureacido pristanicoacide pristanique(2S)-pristanic acidUNII-5FMQ2908APSCHEMBL716925

데이터베이스 식별자

CAS: 1189-37-3
PubChem CID: 123929
DTXSID: DTXSID00862584
ChEMBL: CHEMBL1316599
ChEBI: CHEBI:51340
Nikkaji: J12.300E

물성

구조 계산 물성

XLogP: 8
극성 표면적: 37.3 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 2
회전 가능 결합 수: 13
무거운 원자 수: 21
형식 전하: 0
복잡도: 260

실험 및 물리화학적 성질

LipidsLipids -> Prenol Lipids [PR] -> Isoprenoids [PR01] -> C20 isoprenoids (diterpenes) [PR0104]

Physical DescriptionSolid

Collision Cross Section178.79 Å² [M-H]- [CCS Type: DT; Method: single field calibrated with Agilent tune mix (Agilent)]

물리화학적 성질

끓는 점: 408 · 408.0±13.0 °C(Predicted)
밀도: 0.882 · 0.882±0.06 g/cm3(Predicted)
인화점: 14 °C · 14 °C
저장 조건: -20 °C · -20°C
용해도: 클로로포름(약간 용해됨), 메탄올(약간 용해됨)
물리적 상태: 에탄올 용액에 용해됨
산도 계수 (pKa): 4.81 · 4.81±0.21(Predicted)
색상: Colorless to light yellow
InChI: 1S/C19H38O2/c1-15(2)9-6-10-16(3)11-7-12-17(4)13-8-14-18(5)19(20)21/h15-18H,6-14H2,1-5H3,(H,20,21)
InChIKey: PAHGJZDQXIOYTH-UHFFFAOYSA-N
SMILES: CC(C)CCCC(C)CCCC(C)CCCC(C)C(O)=O

안전 및 규제

안전 데이터

wgk: 1
ridadr: UN 1170 3/PG 2
risk_code: 11
hazard_code: F
safety_code: 7-16
Hazard Classifications: Eye Irrit. 2Flam. Liq. 2
스토리지 클래스: 3 - Flammable liquids

화학 및 산업

약리 정보

Tissue LocationsFibroblasts

Cellular LocationsCytoplasm

Metabolite PathwaysOxidation of Branched Chain Fatty Acids

응용 분야

용도Pristanic Acid is a lipid that has been analyzed in a toxicity profiling of free fatty acids in human pancreatic beta-cells.

공급사12 곳

Syntechem Co.,Ltd[email protected]

怀化市冰峰化工有限公司0745-2866851 17711757908 · [email protected]

TargetMol 中国（陶术生物）400-821-0310 15002144251 · [email protected]

Sigma-Aldrich西格玛奥德里奇(上海)贸易有限公司021-61415566 800-8193336 · [email protected]

Alfa Chemistry1-516-6625404 · [email protected]

추가 설명

정의ChEBI: A branched, long-chain saturated fatty acid composed of pentadecanoic acid having methyl substituents at the 2-, 6-, 10- and 14-positions.

연결된 노트

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