EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:206941 - Hormonemate D

ChEBI IDCHEBI:206941
ChEBI NameHormonemate D
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC36H64O16
Net Charge0
Average Mass752.892
Monoisotopic Mass752.41944
SMILESCC[C@H](C)[C@@H](O)C(=O)O[C@@H](C(=O)O[C@@H](C(=O)O[C@@H](C(=O)O[C@@H](C(=O)O[C@H](CO)[C@@H](O)[C@H](O)[C@H](O)CO)[C@@H](C)CC)[C@@H](C)CC)[C@@H](C)CC)[C@@H](C)CC
InChIInChI=1S/C36H64O16/c1-11-18(6)25(40)32(43)49-29(20(8)13-3)34(45)51-31(22(10)15-5)36(47)52-30(21(9)14-4)35(46)50-28(19(7)12-2)33(44)48-24(17-38)27(42)26(41)23(39)16-37/h18-31,37-42H,11-17H2,1-10H3/t18-,19-,20-,21-,22-,23+,24+,25+,26+,27+,28+,29+,30+,31+/m0/s1
InChIKeyHBGXJQIJSDBPRJ-RKTYOMCRSA-N
Species of MetaboliteComponentSourceComments
Dothioraspecies (ncbitaxon:2420193) - PubMed (28277681)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Hormonemate D (CHEBI:206941) is a depsipeptide (CHEBI:23643)
IUPAC Name 
[(2R,3S)-3-methyl-1-[(2R,3S)-3-methyl-1-[(2R,3S)-3-methyl-1-[(2R,3S)-3-methyl-1-oxo-1-[(2R,3S,4R,5R)-1,3,4,5,6-pentahydroxyhexan-2-yl]oxypentan-2-yl]oxy-1-oxopentan-2-yl]oxy-1-oxopentan-2-yl]oxy-1-oxopentan-2-yl] (2R,3S)-2-hydroxy-3-methylpentanoate
Manual XrefsDatabases
76788335ChemSpider