5-Hydroxyeicosatetraenoic Acid

HCID 5280733

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 330796-62-8
표준 SMILES: CCCCC/C=C\C/C=C\C/C=C\C=C\[C@@H](O)CCCC(=O)O
InChIKey: KGIJOOYOSFUGPC-JGKLHWIESA-N
분자식: C20H32O3
평균 분자량: 320.5 g/mol
단동위원소 질량: 320.23514488

이름 및 식별자

우선 이름: 5-Hydroxyeicosatetraenoic Acid
IUPAC: (5S,6E,8Z,11Z,14Z)-5-hydroxyicosa-6,8,11,14-tetraenoic acid
영어명: 5(S)-HETE-D8
분자식: C20H24D8O3
분자량: 320.47

이름 및 동의어

70608-72-95-Hete5-Hydroxyeicosatetraenoic acid5-Hydroxy-6,8,11,14-eicosatetraenoic acid467RNW8T915-HETE [MI]5-HETE, (S)-5-L-Hydroxy-6,8,11,14-eicosatetraenoic acidDTXSID7010172815(S)-Hydroxy-6-trans-8,11,14-cis-eicosatetraenoic acid6,8,11,14-Eicosatetraenoic acid, 5-hydroxy-, (5S,6E,8Z,11Z,14Z)-6,8,11,14-Eicosatetraenoic acid, 5-hydroxy-

이름 더 보기

5(S)-HETE-D814,15-Dihydroxy-5,8,10,12-eicosatetraenoic Acid-D8(S,6E,8Z,11Z,14Z)-5-hydroxyicosa-6,8,11,14-tetraenoic acid5S-HYDROXY-6E,8Z,11Z,14Z-EICOSATETRAENOIC-5,6,8,9,11,12,14,15-D8 ACID

CHEBI:609435-OH 6t,8c,11c,14c-20:45-hydroxy,6E,8Z,11Z,14Z-eicosatetraenoic acid5-hydroxy-6E,8Z,11Z,14Z-icosatetraenoic acidRefChem:5362375-hydroxy-6-trans-8,11,14-cis-eicosatetraenoic acid5-hydroxy-6(E),8(Z),11(Z),14(Z)-eicosatetraenoic acid(6E,8Z,11Z,14Z)-5-hydroxyeicosa-6,8,11,14-tetraenoic acid

데이터베이스 식별자

CAS: 330796-62-8、70608-72-9
PubChem CID: 5280733
DTXSID: DTXSID701017281
ChEMBL: CHEMBL164813
ChEBI: CHEBI:28209
UNII: 467RNW8T91
EC Number: 633-222-7
Nikkaji: J390.336B

물성

구조 계산 물성

XLogP: 5.2
극성 표면적: 57.5 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 3
회전 가능 결합 수: 14
무거운 원자 수: 23
형식 전하: 0
복잡도: 392

실험 및 물리화학적 성질

Physical DescriptionSolid

Collision Cross Section · 2건

187.2 Å² [M-H]- [CCS Type: DT; Method: stepped-field]；188.21 Å² [M+Na]+ [CCS Type: DT; Method: stepped-field]

187 Å² [M+Na]+；186.6 Å² [M-H]-

물리화학적 성질

저장 조건: -20 °C · Store at -20°C
용해도: 0.1 M · 0.1 M Na2CO3: 2 mg/ml,DMF: Miscible,DMSO: Miscible,Ethanol: Miscible,PBS pH 7.2: 0.8 mg/ml
물리적 상태: Liquid
색상: Colorless to light yellow

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract 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 38 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

유해성 정보

Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (100%)

안전 데이터

신호 어: Danger
유해·위험 문구: 암호 유해·위험 문구 위험 등급 범주 신호 어 그림 문자 P- 코드 H225

화학 및 산업

약리 정보

Tissue LocationsPlacenta

Cellular LocationsExtracellular；Membrane

Metabolite Pathways · 1건

Acetaminophen Action Pathway；Acetylsalicylic Acid Action Pathway；Antipyrine Action Pathway；Antrafenine Action Pathway；Arachidonic Acid Metabolism；Bromfenac Action Pathway；Carprofen Action Pathway；Celecoxib Action Pathway；Diclofenac Action Pathway；Diflunisal Action Pathway；Total 41 pathways, visit the HMDB page for details

응용 분야 · 1건

용도5(S)-HETE-d8 contains eight deuterium atoms at the 5, 6, 8, 9, 11, 12, 14, and 15 positions. It is intended for use as an internal standard for the quantification of 5(S)-HETE by GC- or LC-mass spectrometry (MS). 5(S)-HETE is produced by the action of 5-lipoxygenase on arachidonic acid to give 5(S)-HpETE, followed by reduction of the hydroperoxide. 5(S)-HETE has proliferative and chemotactic effects on granulocytes. When further metabolized to the 5-oxoETE, it is a more potent eosinophil chemoattractant than leukotriene B4.

공급사6 곳

上海稳同科技有限公司02151600108 13062666369 · [email protected]

上海一研生物科技有限公司021-69985186 13611928337 · [email protected]

上海一飞生物科技有限公司021-65675885 18964387627 · [email protected]

ChemeGen 中国18818260767 · [email protected]