EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:216423 - Boydine A

ChEBI IDCHEBI:216423
ChEBI NameBoydine A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H22N2O4S2
Net Charge0
Average Mass418.540
Monoisotopic Mass418.10210
SMILESCS[C@@]12CC3=CC=C[C@H](O)[C@H]3N1C(=O)[C@]1(SC)CC3=CC=C[C@H](O)[C@H]3N1C2=O
InChIInChI=1S/C20H22N2O4S2/c1-27-19-9-11-5-3-7-13(23)15(11)21(19)18(26)20(28-2)10-12-6-4-8-14(24)16(12)22(20)17(19)25/h3-8,13-16,23-24H,9-10H2,1-2H3/t13-,14-,15-,16-,19+,20+/m0/s1
InChIKeyYZIXVRLPOWUHSZ-PSJNWGMYSA-N
Species of MetaboliteComponentSourceComments
Scedosporium boydii (ncbitaxon:5597) - PubMed (25319640)
ChEBI Ontology
Outgoing Relation(s)
Boydine A (CHEBI:216423) has functional parent α-amino acid (CHEBI:33704)
Boydine A (CHEBI:216423) is a organonitrogen compound (CHEBI:35352)
Boydine A (CHEBI:216423) is a organooxygen compound (CHEBI:36963)
IUPAC Name 
(1R,4S,5S,11R,14S,15S)-5,15-dihydroxy-1,11-bis(methylsulanyl)-3,13-diazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-6,8,16,18-tetraene-2,12-dione
Manual XrefsDatabases
78442712ChemSpider