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CHEBI:208463 - Dibohemamine D

ChEBI IDCHEBI:208463
ChEBI NameDibohemamine D
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC29H38N4O6
Net Charge0
Average Mass538.645
Monoisotopic Mass538.27913
SMILESCC(C)=CC(=O)NC1=C(CC2=C(NC(=O)C=C(C)C)N3[C@@H](C)[C@H]4O[C@H]4[C@@]3(C)C2=O)C(=O)[C@]2(C)[C@H](O)C[C@H](C)N12
InChIInChI=1S/C29H38N4O6/c1-13(2)9-20(35)30-26-17(23(37)28(7)19(34)11-15(5)32(26)28)12-18-24(38)29(8)25-22(39-25)16(6)33(29)27(18)31-21(36)10-14(3)4/h9-10,15-16,19,22,25,34H,11-12H2,1-8H3,(H,30,35)(H,31,36)/t15-,16-,19+,22+,25+,28-,29+/m0/s1
InChIKeyHMSVGXQESVZWBM-RZAFYMPVSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (29035560)
ChEBI Ontology
Outgoing Relation(s)
Dibohemamine D (CHEBI:208463) is a pyrrolizines (CHEBI:38522)
IUPAC Name 
N-[(5S,7R,8S)-2-[[(1S,2S,4R,5S)-1,5-dimethyl-7-(3-methylbut-2-enoylamino)-9-oxo-3-oxa-6-azatricyclo[4.3.0.02,4]non-7-en-8-yl]methyl]-7-hydroxy-5,8-dimethyl-1-oxo-6,7-dihydro-5H-pyrrolizin-3-yl]-3-methylbut-2-enamide
Manual XrefsDatabases
78439017ChemSpider