CHEBI:208463 - Dibohemamine D

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Dibohemamine D
ChEBI ID CHEBI:208463
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C29H38N4O6
Net Charge 0
Average Mass 538.645
Monoisotopic Mass 538.27913
InChI InChI=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
InChIKey HMSVGXQESVZWBM-RZAFYMPVSA-N
SMILES O=C1C(=C(NC(=O)C=C(C)C)N2[C@]1([C@H](O)C[C@@H]2C)C)CC3=C(N4[C@H]([C@@H]5[C@H]([C@]4(C3=O)C)O5)C)NC(=O)C=C(C)C
Metabolite of Species Details
Streptomyces (NCBI:txid1883) See: PubMed
ChEBI Ontology
Outgoing 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 Xref Database
78439017 ChemSpider
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