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CHEBI:232383 - SGC0946

Default Structure
ChEBI IDCHEBI:232383
ChEBI NameSGC0946
Stars
SubmitterFlyBase
DownloadsMolfile
FormulaC28H40BrN7O4
Net Charge0
Average Mass618.577
Monoisotopic Mass617.23251
SMILES[H][C@]1(O)[C@@]([H])(O)[C@]([H])(n2cc(Br)c3c(N)ncnc32)O[C@]1([H])CN(CCC/N=C(\O)Nc1ccc(C(C)(C)C)cc1)C(C)C
InChIInChI=1S/C28H40BrN7O4/c1-16(2)35(12-6-11-31-27(39)34-18-9-7-17(8-10-18)28(3,4)5)14-20-22(37)23(38)26(40-20)36-13-19(29)21-24(30)32-15-33-25(21)36/h7-10,13,15-16,20,22-23,26,37-38H,6,11-12,14H2,1-5H3,(H2,30,32,33)(H2,31,34,39)/t20-,22-,23-,26-/m1/s1
InChIKeyIQCKJUKAQJINMK-HUBRGWSESA-N
ChEBI Ontology
Outgoing Relation(s)
SGC0946 (CHEBI:232383) is a organic molecular entity (CHEBI:50860)
Registry NumbersSources
CAS:1561178-17-3SUBMITTER
Citations