EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:208972 - Cybastacine A

ChEBI IDCHEBI:208972
ChEBI NameCybastacine A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC26H43N3O.HNO3
Net Charge0
Average Mass476.662
Monoisotopic Mass476.33626
SMILESCC1(C)CCC[C@]2(C)C3=C(CC[C@@H]12)[C@@]1(C)CC[C@@]2(C)NC(N)=NC[C@@H]2[C@@]1(C)C[C@H]3O.O=[N+]([O-])O
InChIInChI=1S/C26H43N3O.HNO3/c1-22(2)10-7-11-23(3)18(22)9-8-16-20(23)17(30)14-25(5)19-15-28-21(27)29-26(19,6)13-12-24(16,25)4;2-1(3)4/h17-19,30H,7-15H2,1-6H3,(H3,27,28,29);(H,2,3,4)/t17-,18+,19-,23+,24-,25-,26-;/m1./s1
InChIKeySJKXTCCZAGJOMB-HHVDTDQPSA-N
Species of MetaboliteComponentSourceComments
Nostocspecies (ncbitaxon:1180) - PubMed (29432010)
ChEBI Ontology
Outgoing Relation(s)
Cybastacine A (CHEBI:208972) is a organic heteromonocyclic compound (CHEBI:25693)
Cybastacine A (CHEBI:208972) is a organonitrogen heterocyclic compound (CHEBI:38101)
IUPAC Name 
(2S,5R,10S,11R,13R,15S,20S)-7-amino-2,5,11,15,19,19-hexamethyl-6,8-diazapentacyclo[12.8.0.02,11.05,10.015,20]docosa-1(14),7-dien-13-ol;nitric acid
Manual XrefsDatabases
78443332ChemSpider