データを補完しています。通常は 1 分以内に完了します
基本情報
- CAS
330796-62-8- 標準SMILES
CCCCC/C=C\C/C=C\C/C=C\C=C\[C@@H](O)CCCC(=O)O- InChIKey
KGIJOOYOSFUGPC-JGKLHWIESA-N- 分子式
- C20H32O3
- 平均分子量
- 320.5 g/mol
- 単同位体質量
- 320.23514488
名称と識別子
- 優先名称
- 5-Hydroxyeicosatetraenoic Acid
- IUPAC
- (5S,6E,8Z,11Z,14Z)-5-hydroxyicosa-6,8,11,14-tetraenoic acid
名称と別名
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-
名称をさらに表示
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
データベース識別子
- 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
物性
構造計算による物性補完中
- XLogP
- 5.2
- 極性表面積
- 57.5 Ų
- 水素結合供与体数
- 2
- 水素結合受容体数
- 3
- 回転可能結合数
- 14
- 重原子数
- 23
- 形式電荷
- 0
- 複雑度
- 392
実験および物理化学的性質
Physical DescriptionSolid
Collision Cross Section
187.2 Ų [M-H]- [CCS Type: DT; Method: stepped-field]；188.21 Ų [M+Na]+ [CCS Type: DT; Method: stepped-field]
187 Ų [M+Na]+；186.6 Ų [M-H]-
安全と法規制
GHS分類
GHS Classification
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.
危険有害性情報
Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (100%)
化学と産業
薬理情報
Tissue LocationsPlacenta
Cellular LocationsExtracellular；Membrane
Metabolite Pathways
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
サプライヤー5 社
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]
武汉艾美捷科技有限公司4006800868;027-59626688 18771149750
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化合物ノート
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