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CHEBI:225401 - Gobienine C

Default Structure
ChEBI IDCHEBI:225401
ChEBI NameGobienine C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC39H66O18
Net Charge0
Average Mass822.939
Monoisotopic Mass822.42492
SMILESC[C@@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](CO)O[C@H]3O[C@H]4[C@H](O[C@@H](C)CCCCCCCCCCCCC[C@@H]5OC(=O)[C@@H](C)[C@H]5C(=O)O[C@@H]32)O[C@H](CO)[C@@H](O)[C@@H]4O)[C@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C39H66O18/c1-19-15-13-11-9-7-5-4-6-8-10-12-14-16-22-25(20(2)35(48)52-22)36(49)55-34-32(56-37-31(47)29(45)26(42)21(3)51-37)28(44)24(18-41)54-39(34)57-33-30(46)27(43)23(17-40)53-38(33)50-19/h19-34,37-47H,4-18H2,1-3H3/t19-,20-,21-,22-,23+,24+,25+,26-,27+,28+,29+,30-,31+,32-,33+,34+,37-,38+,39-/m0/s1
InChIKeyLEUAZUSMOMTNRT-PTUUQESOSA-N
Species of MetaboliteComponentSourceComments
Acarospora (ncbitaxon:88747) - DOI (10.1016/s0031-9422(01)00388-0)
ChEBI Ontology
Outgoing Relation(s)
Gobienine C (CHEBI:225401) is a lipopolysaccharide (CHEBI:16412)
IUPAC Name 
(1R,3S,5R,6R,7S,8R,11R,12S,15S,29S,31R,33R,34S,35S)-6,34,35-trihydroxy-5,33-bis(hydroxymethyl)-12,29-dimethyl-7-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-2,4,9,14,30,32-hexaoxatetracyclo[29.4.0.03,8.011,15]pentatriacontane-10,13-dione
Manual XrefsDatabases
78436181ChemSpider