EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:212647 - Chalcomycin E

ChEBI IDCHEBI:212647
ChEBI NameChalcomycin E
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC35H56O13
Net Charge0
Average Mass684.820
Monoisotopic Mass684.37209
SMILESCO[C@@H]1[C@H](O)[C@@H](C)O[C@@H](OC[C@H]2/C=C/C=C/C(=O)[C@@](C)(O)C[C@H](C)[C@H](O[C@@H]3O[C@H](C)C[C@H](OC)[C@H]3O)[C@@H](C)/C=C/C(=O)O[C@@H]2C)[C@@H]1OC
InChIInChI=1S/C35H56O13/c1-19-14-15-27(37)46-22(4)24(18-44-34-32(43-9)31(42-8)28(38)23(5)47-34)12-10-11-13-26(36)35(6,40)17-20(2)30(19)48-33-29(39)25(41-7)16-21(3)45-33/h10-15,19-25,28-34,38-40H,16-18H2,1-9H3/b12-10+,13-11+,15-14+/t19-,20-,21+,22+,23+,24+,25-,28+,29+,30+,31+,32+,33-,34+,35-/m0/s1
InChIKeyCCBSLQOITPAPFB-FDHOFBBZSA-N
Species of MetaboliteComponentSourceComments
Streptomycesspecies HK-2006-1 (ncbitaxon:1470402) - PubMed (28555051)
ChEBI Ontology
Outgoing Relation(s)
Chalcomycin E (CHEBI:212647) is a macrolide (CHEBI:25106)
IUPAC Name 
(3E,5S,6S,7S,9S,11E,13E,15R,16R)-9-hydroxy-15-[[(2R,3R,4R,5R,6R)-5-hydroxy-3,4-dimethoxy-6-methyloxan-2-yl]oxymethyl]-6-[(2S,3R,4S,6R)-3-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy-5,7,9,16-tetramethyl-1-oxacyclohexadeca-3,11,13-triene-2,10-dione