EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:209844 - Antascomicin E

ChEBI IDCHEBI:209844
ChEBI NameAntascomicin E
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC37H57NO10
Net Charge0
Average Mass675.860
Monoisotopic Mass675.39825
SMILESC[C@H](C[C@@H]1CC[C@@H](O)[C@H](O)C1)[C@@H]1CC[C@H](CO)/C=C/CC/C=C/C(=O)[C@H](C)[C@@H]2CC[C@@H](C)[C@@](O)(O2)C(=O)C(=O)N2CCCC[C@H]2C(=O)O1
InChIInChI=1S/C37H57NO10/c1-23(20-27-14-16-30(41)31(42)21-27)32-18-15-26(22-39)10-6-4-5-7-12-29(40)25(3)33-17-13-24(2)37(46,48-33)34(43)35(44)38-19-9-8-11-28(38)36(45)47-32/h6-7,10,12,23-28,30-33,39,41-42,46H,4-5,8-9,11,13-22H2,1-3H3/b10-6+,12-7+/t23-,24-,25+,26-,27+,28+,30-,31-,32+,33+,37-/m1/s1
InChIKeyXFSKSHSLHKELSA-PUVZFYIDSA-N
Species of MetaboliteComponentSourceComments
Micromonospora (ncbitaxon:1873) - PubMed (8626235)
ChEBI Ontology
Outgoing Relation(s)
Antascomicin E (CHEBI:209844) is a lactam (CHEBI:24995)
Antascomicin E (CHEBI:209844) is a macrolide (CHEBI:25106)
IUPAC Name 
(1R,9S,12S,15S,16E,20E,23R,24S,27R)-12-[(2R)-1-[(1S,3R,4R)-3,4-dihydroxycyclohexyl]propan-2-yl]-1-hydroxy-15-(hydroxymethyl)-23,27-dimethyl-11,28-dioxa-4-azatricyclo[22.3.1.04,9]octacosa-16,20-diene-2,3,10,22-tetrone
Manual XrefsDatabases
78439775ChemSpider