EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:223517 - Herbimycin B

ChEBI IDCHEBI:223517
ChEBI NameHerbimycin B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC28H38N2O8
Net Charge0
Average Mass530.618
Monoisotopic Mass530.26282
SMILESCO[C@H]1/C=C\C=C(/C)C(=O)NC2=CC(=O)C=C(C[C@@H](C)C[C@H](OC)[C@H](O)[C@@H](C)/C=C(\C)[C@@H]1OC(N)=O)C2=O
InChIInChI=1S/C28H38N2O8/c1-15-10-19-13-20(31)14-21(25(19)33)30-27(34)16(2)8-7-9-22(36-5)26(38-28(29)35)18(4)12-17(3)24(32)23(11-15)37-6/h7-9,12-15,17,22-24,26,32H,10-11H2,1-6H3,(H2,29,35)(H,30,34)/b9-7-,16-8+,18-12+/t15-,17+,22+,23+,24-,26+/m1/s1
InChIKeyZRACUXWBSYZVLW-LCXCNHHZSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (7451361)
ChEBI Ontology
Outgoing Relation(s)
Herbimycin B (CHEBI:223517) is a azamacrocycle (CHEBI:52898)
Herbimycin B (CHEBI:223517) is a keratan 6'-sulfate (CHEBI:18331)
IUPAC Name 
[(4E,6Z,8S,9S,10E,12S,13R,14S,16R)-13-hydroxy-8,14-dimethoxy-4,10,12,16-tetramethyl-3,20,22-trioxo-2-azabicyclo[16.3.1]docosa-1(21),4,6,10,18-pentaen-9-yl] carbamate
Manual XrefsDatabases
23205908ChemSpider