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CHEBI:227863 - Dibohemamine C

ChEBI IDCHEBI:227863
ChEBI NameDibohemamine C
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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[C@@H](O)[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)30-26-19(25(39)29(8)21(35)11-16(5)32(26)29)12-18-24(38)28(7)13-20(34)17(6)33(28)27(18)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
InChIKeyYZAUCUXAEKJDHU-GZKFWNGVSA-N
Species of MetaboliteComponentSourceComments
Streptomycesspeciesnoverrucosus (ncbitaxon:284043) - PubMed (26834079)
ChEBI Ontology
Outgoing Relation(s)
Dibohemamine C (CHEBI:227863) is a pyrrolizines (CHEBI:38522)
IUPAC Name 
N-[(5S,7R,8S)-7-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
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58196541ChemSpider