16-Hydroxyhexadecanoic acid (HCID 10466)

개요

16-hydroxyhexadecanoic acid is an -hydroxy-long-chain fatty acid that is hexadecanoic acid (also known as palmitic acid) which is substituted at position 16 by a hydroxy group. It is a key monomer of cutin in the plant cuticle. It has a role as a plant metabolite. It is an omega-hydroxy-long-chain fatty acid and a hydroxypalmitic acid. It is a conjugate acid of a 16-hydroxyhexadecanoate.

이름 및 식별자

우선 이름: 16-Hydroxyhexadecanoic acid
IUPAC: 16-hydroxyhexadecanoic acid
현지명: 16-히드록시헥사데칸산
영어명: 16-HYDROXYHEXADECANOIC ACID
분자식: C16H32O3
분자량: 272.42

이름 및 동의어

16-Hydroxyhexadecanoic acid506-13-8Juniperic acid16-HYDROXYPALMITIC ACIDPalmitic acid, 16-hydroxy-omega-Hydroxypalmitic acid7IPP3U0F3INSC-159292DTXSID6060133CHEBI:55328RefChem:437511DTXCID8040858

이름 더 보기

16-히드록시헥사데칸산16-하이드록시헥사데칸산16-hydroxy-hexadecanoicacijunipericaci16-HYDROXYHEXADECANOI16-hydroxyhexadecanoateLactic Acid Impurity 12416-HydroxyhexadecanoicAcid>Hexadecanoic acid, 16-hydroxy-

208-028-7Hexadecanoic acid, 16-hydroxy-.omega.-Hydroxypalmitic acid16-hydroxy-hexadecanoic acidMFCD0000275016-hydroxy hexadecanoic acidhydroxy hexadecanoatehydroxy hexadecanoic acid

데이터베이스 식별자

CAS: 506-13-8
PubChem CID: 10466
DTXSID: DTXSID6060133
ChEMBL: CHEMBL4281719
ChEBI: CHEBI:55328
UNII: 7IPP3U0F3I
EC Number: 208-028-7
Nikkaji: J11.795A

물성

구조 계산 물성

XLogP: 4.8
극성 표면적: 57.5 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 3
회전 가능 결합 수: 15
무거운 원자 수: 19
형식 전하: 0
복잡도: 192

실험 및 물리화학적 성질

LipidsFatty Acyls [FA] -> Fatty Acids and Conjugates [FA01] -> Hydroxy fatty acids [FA0105]

Melting Point94.00 to 98.00 °C. @ 760.00 mm Hg

Physical DescriptionSolid

Collision Cross Section168.99 Å² [M-H]- [CCS Type: DT; Method: single field calibrated with Agilent tune mix (Agilent)]

물리화학적 성질

녹는점: 94 · 94-98 °C(lit.)
끓는 점: 414.4 · 414.4±18.0 °C(Predicted)
밀도: 0.956 · 0.956±0.06 g/cm3(Predicted)
저장 조건: 2 · 2-8°C
용해도: 20 mg/ml; · DMF: 20 mg/ml; DMSO: 20 mg/ml; DMSO:PBS(pH 7.2) (1:2): 0.33 mg/ml; Ethanol: 2.5 mg/ml
물리적 상태: 결정성 분말
산도 계수 (pKa): 4.78 · 4.78±0.10(Predicted)
색상: 하얀색
BRN: 1783998 · 1783998
InChI: InChI=1S/C16H32O3/c17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16(18)19/h17H,1-15H2,(H,18,19)
InChIKey: UGAGPNKCDRTDHP-UHFFFAOYSA-N
SMILES: C(O)(=O)CCCCCCCCCCCCCCCO
LogP: 4.904 · 4.904 (est)
EPA: 16 · 16-Hydroxypalmitic acid (506-13-8)

화학적 성질

white crystalline solid

안전 및 규제

안전 데이터

wgk: 3
tsca: TSCA listed
HS 번호: 29181998
risk_code: 36/37/38
safety_code: 22-24/25
기존화학 물질: KE-20546
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

약리 정보

Cellular LocationsCytoplasm

용도 및 제조

General Manufacturing InformationHexadecanoic acid, 16-hydroxy-: ACTIVE

응용 분야 · 2건

개요16-hydroxy Hexadecanoic acid is a metabolite of the saturated fatty acid palmitic acid (16:0) that has been hydroxylated on its terminal (ω) carbon. It is produced by ω-hydroxylation of palmitic acid by cytochrome P450 in both plants and animals. In plants, it is commonly a component of cutin.

용도16-Hydroxyhexadecanoic acid was used in the synthesis of dihydroxypalmitic acids. It was also used to induce the expression of two GRP genes of Arabidopsis thaliana, AtGRP5 and AtGRP23.

상·하류 제품 정보

상류 원료

2H-Pyran, 2-[(15-bromo-2-pentadecyn-1-yl)oxy]tetrahydro-10,12-Hexadecadiynoic acid, 16-hydroxy-9-Hexadecenoic acid, 16-hydroxy-, (9Z)-IHDA 10-UNDECYNOIC ACID Undecanoic acid,10,11-dibromo-1,12-Dibromododecane

하류 제품

2-헥사논,4-하이드록시-(6Cl,9CI)Hexadecanoic acid, 16-amino-헥사데카노락톤 1,16-헥사데칸디올

공급사50 곳

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]

郑州阿尔法化工有限公司+86-18530059196 · [email protected]

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

湖南韵邦生物科技股份有限公司85561037 15386497078 · [email protected]

上海策嵘生物科技有限公司[email protected]

추가 설명 · 1건

정의ChEBI: 16-hydroxyhexadecanoic acid is an omega-hydroxy-long-chain fatty acid that is hexadecanoic acid (also known as palmitic acid) which is substituted at position 16 by a hydroxy group. It is a key monomer of cutin in the plant cuticle. It has a role as a plant metabolite. It is an omega-hydroxy-long-chain fatty acid and a hydroxypalmitic acid. It is a conjugate acid of a 16-hydroxyhexadecanoate.