CHEBI:227858 - Dibohemamine B

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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 B
ChEBI ID CHEBI:227858
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C29H40N4O6
Net Charge 0
Average Mass 540.661
Monoisotopic Mass 540.29479
InChI InChI=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
InChIKey COZXEUXJRDPURI-BVFZNMEPSA-N
SMILES O=C1C(=C(NC(=O)C=C(C)C)N2[C@]1(C[C@H](O)[C@@H]2C)C)CC3=C(N4[C@H]([C@@H](O)C[C@]4(C3=O)C)C)NC(=O)C=C(C)C
Metabolite of Species Details
Streptomycesspeciesnoverrucosus (NCBI:txid284043) See: PubMed
ChEBI Ontology
Outgoing 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 Xref Database
58196540 ChemSpider
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