(E,2S,3R,5R,8R,9S)-10-[(2R,3R,4S,5S)-6-[(1S,3S,4R,5R,11S)-12-[(1R,3S,5S,7R)-5-[(8S)-9-[(2R,3R,4S,5R,6S)-6-[(E,2S,3S,6S,9R,10R)-10-[(4R,5S,6R)-6-[(2R,3R)-4-[(2R,3S,4S,5R,6S)-6-[(2S,3Z,5E,8R,10R,12Z,17S,18R,19R,20R)-21-[(2R,3R,4S,5S,6R)-6-[(Z,3R,4R)-5-[(1S,3R,5S,7R)-7-[2-[(2R,3R,5S)-5-(aminomethyl)-3-hydroxyoxolan-2-yl]ethyl]-2,6-dioxabicyclo[3.2.1]octan-3-yl]-3,4-dihydroxypent-1-enyl]-3,4,5-trihydroxyoxan-2-yl]-2,8,9,10,17,18,19-heptahydroxy-20-methyl-14-methylidenehenicosa-3,5,12-trienyl]-3,4,5-trihydroxyoxan-2-yl]-2,3-dihydroxybutyl]-4,5-dihydroxyoxan-2-yl]-2,6,9,10-tetrahydroxy-3-methyldec-4-enyl]-3,4,5,6-tetrahydroxyoxan-2-yl]-8-hydroxynonyl]-1,3-dimethyl-6,8-dioxabicyclo[3.2.1]octan-7-yl]-1,2,3,4,5-pentahydroxy-11-methyldodecyl]-3,4,5-trihydroxyoxan-2-yl]-2,5,8,9-tetrahydroxy-N-[(Z)-3-(3-hydroxypropylamino)-3-oxoprop-1-enyl]-3,7-dimethyldec-6-enamide

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 异戊烯醇脂质
• 英文名称: (E,2S,3R,5R,8R,9S)-10-[(2R,3R,4S,5S)-6-[(1S,3S,4R,5R,11S)-12-[(1R,3S,5S,7R)-5-[(8S)-9-[(2R,3R,4S,5R,6S)-6-[(E,2S,3S,6S,9R,10R)-10-[(4R,5S,6R)-6-[(2R,3R)-4-[(2R,3S,4S,5R,6S)-6-[(2S,3Z,5E,8R,10R,12Z,17S,18R,19R,20R)-21-[(2R,3R,4S,5S,6R)-6-[(Z,3R,4R)-5-[(1S,3R,5S,7R)-7-[2-[(2R,3R,5S)-5-(aminomethyl)-3-hydroxyoxolan-2-yl]ethyl]-2,6-dioxabicyclo[3.2.1]octan-3-yl]-3,4-dihydroxypent-1-enyl]-3,4,5-trihydroxyoxan-2-yl]-2,8,9,10,17,18,19-heptahydroxy-20-methyl-14-methylidenehenicosa-3,5,12-trienyl]-3,4,5-trihydroxyoxan-2-yl]-2,3-dihydroxybutyl]-4,5-dihydroxyoxan-2-yl]-2,6,9,10-tetrahydroxy-3-methyldec-4-enyl]-3,4,5,6-tetrahydroxyoxan-2-yl]-8-hydroxynonyl]-1,3-dimethyl-6,8-dioxabicyclo[3.2.1]octan-7-yl]-1,2,3,4,5-pentahydroxy-11-methyldodecyl]-3,4,5-trihydroxyoxan-2-yl]-2,5,8,9-tetrahydroxy-N-[(Z)-3-(3-hydroxypropylamino)-3-oxoprop-1-enyl]-3,7-dimethyldec-6-enamide
• 化学式: C₁₂₉H₂₂₃N₃O₅₄
• 分子量: 2680.1
• InChiKey: CWODDUGJZSCNGB-YVYNORSQSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -6.6
• 重原子数：
  186
• 可旋转键数：
  80
• 环数：
  10.0
• sp3杂化的碳原子比例：
  0.86
• 拓扑面积：
  1030
• 氢给体数：
  45
• 氢受体数：
  55

ADMET

毒理性

• 解毒与急救

/SRP:/ 立即急救：确保已经进行了充分的中毒物清除。如果患者停止呼吸，开始人工呼吸，最好使用需求阀复苏器、袋阀面罩装置或口袋面罩，按训练操作。如有必要，执行心肺复苏。立即用缓慢流动的水冲洗受污染的眼睛。不要催吐。如果发生呕吐，让患者前倾或置于左侧（如果可能的话，头部向下）以保持呼吸道畅通，防止吸入。保持患者安静，维持正常体温。寻求医疗帮助。 /毒物A和B/

/SRP:/ Immediate first aid: Ensure that adequate decontamination has been carried out. If patient is not breathing, start artificial respiration, preferably with a demand valve resuscitator, bag-valve-mask device, or pocket mask, as trained. Perform CPR if necessary. Immediately flush contaminated eyes with gently flowing water. Do not induce vomiting. If vomiting occurs, lean patient forward or place on the left side (head-down position, if possible) to maintain an open airway and prevent aspiration. Keep patient quiet and maintain normal body temperature. Obtain medical attention. /Poisons A and B/

来源:Hazardous Substances Data Bank (HSDB)

毒理性

• 解毒与急救

/SRP:/ 基本治疗：建立专利气道（如有需要，使用口咽或鼻咽气道）。如有必要，进行吸痰。观察呼吸不足的迹象，如有需要，协助通气。通过非循环呼吸面罩以10至15升/分钟的速度给予氧气。监测肺水肿，如有必要，进行治疗……。监测休克，如有必要，进行治疗……。预期癫痫发作，如有必要，进行治疗……。对于眼睛污染，立即用水冲洗眼睛。在运输过程中，用0.9%的生理盐水（NS）持续冲洗每只眼睛……。不要使用催吐剂。对于摄入，如果患者能够吞咽、有强烈的干呕反射且不流口水，则用温水冲洗口腔，并给予5毫升/千克，最多200毫升的水进行稀释……。在去污后，用干燥的无菌敷料覆盖皮肤烧伤……。/毒药A和B/

/SRP:/ Basic treatment: Establish a patent airway (oropharyngeal or nasopharyngeal airway, if needed). Suction if necessary. Watch for signs of respiratory insufficiency and assist ventilations if needed. Administer oxygen by nonrebreather mask at 10 to 15 L/min. Monitor for pulmonary edema and treat if necessary ... . Monitor for shock and treat if necessary ... . Anticipate seizures and treat if necessary ... . For eye contamination, flush eyes immediately with water. Irrigate each eye continuously with 0.9% saline (NS) during transport ... . Do not use emetics. For ingestion, rinse mouth and administer 5 mL/kg up to 200 mL of water for dilution if the patient can swallow, has a strong gag reflex, and does not drool ... . Cover skin burns with dry sterile dressings after decontamination ... . /Poisons A and B/

来源:Hazardous Substances Data Bank (HSDB)

毒理性

• 解毒与急救

/SRP:/ 高级治疗：对于无意识、严重肺水肿或严重呼吸困难的病人，考虑进行口咽或鼻咽气管插管以控制气道。使用气囊面罩装置的正压通气技术可能有益。考虑使用药物治疗肺水肿……。对于严重的支气管痉挛，考虑给予β受体激动剂，如沙丁胺醇……。监测心率和必要时治疗心律失常……。开始静脉输注D5W /SRP: "保持开放"，最低流速/。如果出现低血容量的迹象，使用0.9%的生理盐水（NS）或乳酸钠林格氏液。对于伴有低血容量迹象的低血压，谨慎给予液体。注意液体过载的迹象……。用地西泮或劳拉西泮治疗癫痫……。使用丙美卡因氢氯化物协助眼部冲洗……。/毒物A和B/

/SRP:/ Advanced treatment: Consider orotracheal or nasotracheal intubation for airway control in the patient who is unconscious, has severe pulmonary edema, or is in severe respiratory distress. Positive-pressure ventilation techniques with a bag valve mask device may be beneficial. Consider drug therapy for pulmonary edema ... . Consider administering a beta agonist such as albuterol for severe bronchospasm ... . Monitor cardiac rhythm and treat arrhythmias as necessary ... . Start IV administration of D5W /SRP: "To keep open", minimal flow rate/. Use 0.9% saline (NS) or lactated Ringer's if signs of hypovolemia are present. For hypotension with signs of hypovolemia, administer fluid cautiously. Watch for signs of fluid overload ... . Treat seizures with diazepam or lorazepam ... . Use proparacaine hydrochloride to assist eye irrigation ... . /Poisons A and B/

来源:Hazardous Substances Data Bank (HSDB)

毒理性

• 人类毒性摘录

案例报告/在2000年10月30日至11月4日期间，日本高知县有11人因食用某种鲈形目鱼类（Epinephelus sp.）而中毒。他们的症状主要表现为严重的肌肉疼痛、腰痛和排出黑色尿液。受害者的血清肌酸磷酸激酶（CPK）水平高于正常值（700-23,800 IU/L），恢复时间超过一个月。事故发生后，立即收集剩余食物进行调查。根据延迟溶血活性的抑制实验，确定致病因子为岩沙海葵毒素（PTX），这种活性可被抗PTX抗体和乌本苷（g-毒毛旋花子苷）抑制...

/CASE REPORTS/ Between October 30 and November 4, 2000, eleven persons were intoxicated due to ingestion of a serranid fish Epinephelus sp. in Kochi Prefecture, Japan. Their symptoms were mainly featured by severe muscle pain, low back pain, and discharge of black urine. Serum creatine phosphokinase (CPK) levels of victims were higher (700-23,800 IU/L) than normal values, and their recovery times were more than one month. Immediately after the incident, the leftovers were collected for investigation. The causative agent was identified as palytoxin (PTX) on the basis of delayed haemolytic activity which was inhibited by an anti-PTX antibody and ouabain (g-strophanthin)...

来源:Hazardous Substances Data Bank (HSDB)

毒理性

• 人类毒性摘录

/CASE REPORTS/ 海葵（Anthozoa, Hexacorallia）是一种群居的海葵，含有有史以来发现的最致命毒素之一，帕利毒素（palytoxin）...但是人们普遍认为，在家用水族贸易中出售的品种并非高度有毒。/作者们/之前展示，一个无意中引入家用水族箱的海葵含有高浓度的帕利毒素，并可能导致一个人在尝试使用沸水消除污染群体时发生严重呼吸道反应...

/CASE REPORTS/ Zoanthids (Anthozoa, Hexacorallia) are colonial anemones that contain one of the deadliest toxins ever discovered, palytoxin... but it is generally believed that highly toxic species are not sold in the home aquarium trade. /The authors/ previously showed that an unintentionally introduced zoanthid in a home aquarium contained high concentrations of palytoxin and was likely responsible for a severe respiratory reaction when an individual attempted to eliminate the contaminant colonies using boiling water...

来源:Hazardous Substances Data Bank (HSDB)