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CHEBI:212746 - Unnarmicin D

ChEBI IDCHEBI:212746
ChEBI NameUnnarmicin D
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SubmitterMetaboLights
DownloadsMolfile
FormulaC34H46N4O7
Net Charge0
Average Mass622.763
Monoisotopic Mass622.33665
SMILESCCCCCCCCC[C@@H]1CC(=O)NCC(=O)N[C@H](Cc2ccc(O)cc2)C(=O)NCC(=O)N[C@@H](Cc2ccccc2)C(=O)O1
InChIInChI=1S/C34H46N4O7/c1-2-3-4-5-6-7-11-14-27-21-30(40)35-22-31(41)37-28(19-25-15-17-26(39)18-16-25)33(43)36-23-32(42)38-29(34(44)45-27)20-24-12-9-8-10-13-24/h8-10,12-13,15-18,27-29,39H,2-7,11,14,19-23H2,1H3,(H,35,40)(H,36,43)(H,37,41)(H,38,42)/t27-,28-,29+/m1/s1
InChIKeyXXJNZEUPNUTKTE-NLDZOOGBSA-N
Species of MetaboliteComponentSourceComments
Trichodesmium thiebautii (ncbitaxon:1208) - PubMed (28665343)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Unnarmicin D (CHEBI:212746) is a cyclodepsipeptide (CHEBI:35213)
IUPAC Name 
(3S,9R,16R)-3-benzyl-9-[(4-hydroxyphenyl)methyl]-16-nonyl-1-oxa-4,7,10,13-tetrazacyclohexadecane-2,5,8,11,14-pentone
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64186227ChemSpider