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Substance Name: Gambieric acid A
RN: 138434-64-7
InChIKey: MSZMCMVREIGRAG-PXDMALBISA-N

Note

  • A polyether isolated from the marine dinoflagellate Gambierdiscus toxicus.

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C59-H92-O16

Molecular Weight

  • 1057.36
 
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Names and Synonyms

Name of Substance

  • Gambieric acid A

Synonym

  • Gambieric acid A

Systematic Names

  • 2-Furanpropanoic acid, 5-(3-(2,3,4,4a,5a,6,6a,7a,8,11,11a,12a,13,13a,14a,15,16,17,18,19a,20,20a,21a,22,23,23a,24a,25,25a,26a,27,27a-dotriacontahydro-6,17-dihydroxy-2-(5-hydroxy-2,4-dimethyl-2-pentenyl)-6a,8,12a,13a,27a-pentamethyl-3-methyleneoxepino(2''',3'''-5'',6'')pyrano(2'',3''-5',6')pyrano(2',3'-6,7)oxepino(3,2-b)pyrano(2''',3'''-5'',6'')pyrano(2'',3''-5',6')pyrano(2',3'-5,6)pyrano(2,3-h)oxonin-18-yl)-2-hydroxypropyl)tetrahydro-beta,3-dimethyl-
  • 2-Furanpropanoic acid, tetrahydro-beta,3-dimethyl-5-(3-(2,3,4,4a,5a,6,6a,7a,8,11,11a,12a,13,13a,14a,15,16,17,18,19a,20,20a,21a,22,23,23a,24a,25,25a,26a,27,27a-dotriacontahydro-6,17-dihydroxy-2-(5-hydroxy-2,4-dimethyl-2-pentenyl)-6a,8,12a,13a,27a-pentamethyl-3-methyleneoxepino(2''',3''':5'',6'')pyrano(2'',3'':5',6')pyrano(2',3':6,7)oxepino(3,2-b)pyrano(2''',3''':5'',6'')pyrano(2'',3'':5',6')pyrano(2',3':5,6)pyrano(2,3-h)oxonin-18-yl)-

Registry Numbers

CAS Registry Number

  • 138434-64-7

System Generated Number

  • 0138434647

Structure Descriptors

InChI

1S/C59H92O16/c1-30(18-31(2)28-60)19-42-33(4)21-48-56(7,74-42)27-46-54(71-48)55(65)59(10)50(69-46)26-45-53(75-59)32(3)12-11-13-40-39(67-45)16-17-47-57(8,72-40)29-58(9)49(70-47)25-44-41(73-58)15-14-38(62)43(68-44)24-36(61)23-37-20-34(5)52(66-37)35(6)22-51(63)64/h11-12,18,31-32,34-50,52-55,60-62,65H,4,13-17,19-29H2,1-3,5-10H3,(H,63,64)/b12-11-,30-18+/t31-,32+,34+,35+,36-,37-,38+,39+,40-,41+,42-,43+,44-,45-,46-,47-,48-,49+,50+,52-,53+,54-,55+,56+,57+,58-,59+/m1/s1

InChIKey

MSZMCMVREIGRAG-PXDMALBISA-N

Smiles

C1[C@@H]2[C@@H](O[C@H]3[C@H]([C@@H](C)C=C1)O[C@@]1([C@H]([C@H]4[C@H](O[C@@H]1C3)C[C@@]1([C@H](O4)CC([C@H](O1)C\C(=C\[C@H](CO)C)C)=C)C)O)C)CC[C@H]1O[C@H]3C[C@H]4O[C@H]([C@H](CC[C@@H]4O[C@@]3(C[C@@]1(C)O2)C)O)C[C@@H](C[C@H]1C[C@@H]([C@@H](O1)[C@H](CC(O)=O)C)C)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD intraperitoneal > 1mg/kg (1mg/kg)   Journal of Antibiotics. Vol. 46, Pg. 520, 1993.