Carboxyatractyloside

Carboxyatractyloside
Names
	Other names CATR
Identifiers
CAS Number	33286-30-5;
3D model (JSmol)	Interactive image;
ChemSpider	16737649;
DrugBank	DB02426;
EC Number	251-444-9
PubChem CID	20055804;
UNII	SNP1XL23E6;
	InChI InChI=1S/C31H46O18S2/c1-14(2)9-21(33)47-24-23(49-51(42,43)44)22(48-50(39,40)41)18(13-32)46-26(24)45-17-11-29(4)19-6-5-16-10-30(19,25(34)15(16)3)8-7-20(29)31(12-17,27(35)36)28(37)38/h14,16-20,22-26,32,34H,3,5-13H2,1-2,4H3,(H,35,36)(H,37,38)(H,39,40,41)(H,42,43,44)/t16-,17+,18-,19+,20+,22-,23+,24-,25+,26-,29+,30-/m1/s1 Key: AQFATIOBERWBDY-LNQSNDDKSA-N;
	SMILES CC(CC(=O)O[C@H]1[C@@H](O[C@@H]([C@H]([C@@H]1OS(=O)(=O)O)OS(=O)(=O)O)CO)O[C@@H]2C[C@@]([C@@H]3[C@@](C2)([C@H]4[C@@]5([C@H](C(=C)[C@@H](C5)CC4)O)CC3)C)(C(=O)O)C(=O)O)C;
Properties
Chemical formula	C31H46O18S2
Molar mass	770.81 g·mol−1
	Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa).
	Infobox references

Carboxyatractyloside (CATR) is a highly toxic diterpene glycoside that inhibits the ADP/ATP translocase. It's about 10 times more potent than atractyloside.^[1]

References

↑ Kedrov, Alexej; Hellawell, Alex M.; Klosin, Adam; Broadhurst, R. Bill; Kunji, Edmund R.S.; Müller, Daniel J. (January 2010). "Probing the Interactions of Carboxy-atractyloside and Atractyloside with the Yeast Mitochondrial ADP/ATP Carrier". Structure. 18 (1): 39–46. doi:10.1016/j.str.2009.11.009. PMID 20152151.

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