Thapsigargin

[(3S,3aR,4S,6S,6aR,7S,8S,9bS)-6-acetyloxy-4-butanoyloxy-3,3a-dihydroxy-3,6,9-trimethyl-8-[(Z)-2-methylbut-2-enoyl]oxy-2-oxo-4,5,6a,7,8,9b-hexahydroazuleno[4,5-b]furan-7-yl] octanoate

Formula: C34H50O12 (650.3302)
Chinese Name: 毒胡萝卜内酯, 毒胡萝卜素
BioDeep ID: BioDeep_00000000710 ( View LC/MS Profile)
SMILES: O(C(=O)CCC)[C@H]1C[C@](C)(OC(=O)C)[C@]2([C@H](OC(CCCCCCC)=O)[C@@H](OC(=O)C(=CC)C)C(C)=C2[C@@]2(OC([C@]([C@@]12O)(O)C)=O)[H])[H]

Found 2 Sample Hits

m/z Adducts Species Organ Scanning Sample

m/z	Adducts	Species	Organ	Scanning	Sample
650.3508	[M-H2O+NH4]+ `PPM:4.1`	Bathymodiolus	epithelial host cells	MALDI (DHB)	MPIMM_039_QE_P_BP_CF_Bputeoserpentis_MALDI-FISH8_Sl14_s1_DHB_233x233_3um - MTBLS744 Resolution: 3μm, 233x234 Description
668.352	[M+NH4]+ `PPM:18`	Mytilus edulis	gill	MALDI (DHB)	20190202_MS38_Crassostrea_Gill_350-1500_DHB_pos_A25_11um_305x210 - MTBLS2960 Resolution: 11μm, 305x210 Description single cell layer `class_4` is the gill structure cells, metabolite ion 534.2956 is the top representive ion of this type of cell

650.3508

[M-H2O+NH4]+
PPM:4.1

Bathymodiolus

epithelial host cells

MALDI (DHB)

MPIMM_039_QE_P_BP_CF_Bputeoserpentis_MALDI-FISH8_Sl14_s1_DHB_233x233_3um - MTBLS744

Resolution: 3μm, 233x234

Description

668.352

[M+NH4]+
PPM:18

Mytilus edulis

gill

MALDI (DHB)

20190202_MS38_Crassostrea_Gill_350-1500_DHB_pos_A25_11um_305x210 - MTBLS2960

Resolution: 11μm, 305x210

Description

single cell layer class_4 is the gill structure cells, metabolite ion 534.2956 is the top representive ion of this type of cell

Thapsigargin is an organic heterotricyclic compound that is a hexa-oxygenated 6,7-guaianolide isolated fron the roots of Thapsia garganica L., Apiaceae. A potent skin irritant, it is used in traditional medicine as a counter-irritant. Thapsigargin inhibits Ca(2+)-transporting ATPase mediated uptake of calcium ions into sarcoplasmic reticulum and is used in experimentation examining the impacts of increasing cytosolic calcium concentrations. It has a role as an EC 3.6.3.8 (Ca(2+)-transporting ATPase) inhibitor and a calcium channel blocker. It is a sesquiterpene lactone, an organic heterotricyclic compound and a butyrate ester. Thapsigargin is a natural product found in Thapsia gymnesica, Thapsia villosa, and Thapsia garganica with data available. A sesquiterpene lactone found in roots of THAPSIA. It inhibits SARCOPLASMIC RETICULUM CALCIUM-TRANSPORTING ATPASES. C1907 - Drug, Natural Product > C28269 - Phytochemical > C93252 - Sesquiterpene Lactone D004791 - Enzyme Inhibitors (-)-Thapsigargin. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. https://commonchemistry.cas.org/detail?cas_rn=67526-95-8 (retrieved 2024-11-06) (CAS RN: 67526-95-8). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).