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CHEBI:217448 - Halichomycin

ChEBI IDCHEBI:217448
ChEBI NameHalichomycin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC33H49NO5
Net Charge0
Average Mass539.757
Monoisotopic Mass539.36107
SMILESCC[C@@H]1O[C@@H]2[C@@H](C)/C=C(C)/C=C(\C)C(=O)N[C@@H]3O[C@H](C(C)C(=O)/C=C\C1C)C(C)[C@@H]2C/C(C)=C\C=C/[C@H]3OC
InChIInChI=1S/C33H49NO5/c1-10-28-21(4)14-15-27(35)25(8)31-24(7)26-18-19(2)12-11-13-29(37-9)33(39-31)34-32(36)23(6)17-20(3)16-22(5)30(26)38-28/h11-17,21-22,24-26,28-31,33H,10,18H2,1-9H3,(H,34,36)/b13-11-,15-14-,19-12-,20-16+,23-17+/t21?,22-,24?,25?,26-,28-,29+,30+,31-,33+/m0/s1
InChIKeyPKFAGRQNIGEVCU-NPQCWMRZSA-N
Species of MetaboliteComponentSourceComments
Streptomyces hygroscopicus (ncbitaxon:1912) - DOI (10.1016/s0040-4039(00)73307-7)
ChEBI Ontology
Outgoing Relation(s)
Halichomycin (CHEBI:217448) is a carboximidic acid (CHEBI:48378)
IUPAC Name 
(1R,4E,6E,8S,9R,11S,13Z,17S,19S,21Z,23Z,25R)-11-ethyl-25-methoxy-4,6,8,12,16,18,21-heptamethyl-10,26-dioxa-2-azatricyclo[15.8.1.09,19]hexacosa-4,6,13,21,23-pentaene-3,15-dione