EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:221638 - Kijimicin

ChEBI IDCHEBI:221638
ChEBI NameKijimicin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC37H64O11
Net Charge0
Average Mass684.908
Monoisotopic Mass684.44486
SMILESCC[C@@H](O)[C@]1(C)C[C@@H](C)[C@](O)([C@H]2C[C@@H](C)[C@H]([C@@]3(C)CC[C@@H]([C@@H]4CC[C@]5(O[C@H]([C@@H](C)[C@H](OC)[C@H](C)C(=O)O)[C@@H](C)[C@@H](OC)[C@H]5C)O4)O3)O2)O1
InChIInChI=1S/C37H64O11/c1-12-27(38)35(9)18-20(3)37(41,48-35)28-17-19(2)32(44-28)34(8)15-13-25(45-34)26-14-16-36(46-26)24(7)31(43-11)22(5)30(47-36)21(4)29(42-10)23(6)33(39)40/h19-32,38,41H,12-18H2,1-11H3,(H,39,40)/t19-,20-,21+,22-,23+,24-,25+,26+,27-,28-,29+,30-,31-,32-,34-,35+,36-,37-/m1/s1
InChIKeyDQQFPJYHEYSNAS-PISFWFNFSA-N
Species of MetaboliteComponentSourceComments
Actinomadura (ncbitaxon:1988) - PubMed (2351616)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
Kijimicin (CHEBI:221638) is a heterocyclic fatty acid (CHEBI:48847)
IUPAC Name 
(2S,3S,4S)-4-[(2S,5S,7S,8S,9R,10R)-2-[(2S,5R)-5-[(2R,3R,5R)-5-[(2R,3R,5S)-2-hydroxy-5-[(1R)-1-hydroxypropyl]-3,5-dimethyloxolan-2-yl]-3-methyloxolan-2-yl]-5-methyloxolan-2-yl]-9-methoxy-8,10-dimethyl-1,6-dioxaspiro[4.5]decan-7-yl]-3-methoxy-2-methylpentanoic acid
Manual XrefsDatabases
78442932ChemSpider