EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:219669 - Cremimycin

ChEBI IDCHEBI:219669
ChEBI NameCremimycin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC35H53NO9
Net Charge0
Average Mass631.807
Monoisotopic Mass631.37203
SMILESCCCCCCC1CC(=O)CCCC(O)CC(=O)C2=C(O)C(O[C@H]3C[C@H](OC)[C@H](O)[C@@H](C)O3)CC2/C=C(C)/C=C\C=C/C(=O)N1
InChIInChI=1S/C35H53NO9/c1-5-6-7-8-13-25-19-26(37)14-11-15-27(38)20-28(39)33-24(17-22(2)12-9-10-16-31(40)36-25)18-30(35(33)42)45-32-21-29(43-4)34(41)23(3)44-32/h9-10,12,16-17,23-25,27,29-30,32,34,38,41-42H,5-8,11,13-15,18-21H2,1-4H3,(H,36,40)/b12-9-,16-10-,22-17+/t23-,24?,25?,27?,29+,30?,32+,34-/m1/s1
InChIKeyRUOAKWFUWPYANU-CBSFPUALSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (9544932)
ChEBI Ontology
Outgoing Relation(s)
Cremimycin (CHEBI:219669) is a glycoside (CHEBI:24400)
IUPAC Name 
(2E,4Z,6Z)-10-hexyl-16,20-dihydroxy-21-[(2S,4S,5R,6R)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy-3-methyl-9-azabicyclo[17.3.0]docosa-2,4,6,19-tetraene-8,12,18-trione