EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:213028 - Acidiscalide

ChEBI IDCHEBI:213028
ChEBI NameAcidiscalide
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC41H66O13
Net Charge0
Average Mass766.966
Monoisotopic Mass766.45034
SMILESCO[C@H]1C[C@@H](C)O[C@@H](OC2C(C)/C=C/C(=O)C(C)/C=C(\C)C(=O)C(C)C(O)CC(=O)OC(C(C)C(C)O)C(C)C(O)C/C=C/C(=O)C(C)(O)CC2C)[C@@H]1O
InChIInChI=1S/C41H66O13/c1-21-15-16-30(43)22(2)17-23(3)36(48)27(7)32(45)19-35(47)53-39(26(6)29(9)42)28(8)31(44)13-12-14-34(46)41(10,50)20-24(4)38(21)54-40-37(49)33(51-11)18-25(5)52-40/h12,14-17,21-22,24-29,31-33,37-40,42,44-45,49-50H,13,18-20H2,1-11H3/b14-12+,16-15+,23-17+/t21?,22?,24?,25-,26?,27?,28?,29?,31?,32?,33+,37-,38?,39?,40+,41?/m1/s1
InChIKeyMOUKIRZREYXCIV-OLAVDCMWSA-N
Species of MetaboliteComponentSourceComments
Streptomyces acidiscabies (ncbitaxon:42234) - DOI (10.1177/1934578x1601100222)
ChEBI Ontology
Outgoing Relation(s)
Acidiscalide (CHEBI:213028) is a macrolide (CHEBI:25106)
IUPAC Name 
(7E,11E,19E)-4,17,22-trihydroxy-24-(3-hydroxybutan-2-yl)-14-[(2S,3R,4S,6R)-3-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy-5,7,9,13,15,17,23-heptamethyl-1-oxacyclotetracosa-7,11,19-triene-2,6,10,18-tetrone
Manual XrefsDatabases
60596991ChemSpider