EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:227858 - Dibohemamine B

ChEBI IDCHEBI:227858
ChEBI NameDibohemamine B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC29H40N4O6
Net Charge0
Average Mass540.661
Monoisotopic Mass540.29478
SMILESCC(C)=CC(=O)NC1=C(CC2=C(NC(=O)C=C(C)C)N3[C@@H](C)[C@@H](O)C[C@@]3(C)C2=O)C(=O)[C@]2(C)C[C@H](O)[C@H](C)N12
InChIInChI=1S/C29H40N4O6/c1-14(2)9-22(36)30-26-18(24(38)28(7)12-20(34)16(5)32(26)28)11-19-25(39)29(8)13-21(35)17(6)33(29)27(19)31-23(37)10-15(3)4/h9-10,16-17,20-21,34-35H,11-13H2,1-8H3,(H,30,36)(H,31,37)/t16-,17-,20-,21-,28-,29-/m0/s1
InChIKeyCOZXEUXJRDPURI-BVFZNMEPSA-N
Species of MetaboliteComponentSourceComments
Streptomycesspeciesnoverrucosus (ncbitaxon:284043) - PubMed (26834079)
ChEBI Ontology
Outgoing Relation(s)
Dibohemamine B (CHEBI:227858) is a pyrrolizines (CHEBI:38522)
IUPAC Name 
N-[(5S,6S,8S)-6-hydroxy-2-[[(5S,6S,8S)-6-hydroxy-5,8-dimethyl-3-(3-methylbut-2-enoylamino)-1-oxo-6,7-dihydro-5H-pyrrolizin-2-yl]methyl]-5,8-dimethyl-1-oxo-6,7-dihydro-5H-pyrrolizin-3-yl]-3-methylbut-2-enamide
Manual XrefsDatabases
58196540ChemSpider