CHEBI:217166 - Dragonamide B

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
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 Dragonamide B
ChEBI ID CHEBI:217166
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C33H59N5O5
Net Charge 0
Average Mass 605.865
Monoisotopic Mass 605.45162
InChI InChI=1S/C33H59N5O5/c1-15-16-17-18-19-24(10)30(40)36(12)26(21(4)5)32(42)38(14)28(23(8)9)33(43)37(13)27(22(6)7)31(41)35(11)25(20(2)3)29(34)39/h1,20-28H,16-19H2,2-14H3,(H2,34,39)/t24-,25-,26-,27-,28-/m0/s1
InChIKey DMKFTARWVIEXGT-XLIKFSOKSA-N
SMILES O=C(N([C@H](C(=O)N([C@H](C(=O)N)C(C)C)C)C(C)C)C)[C@@H](N(C(=O)[C@@H](N(C(=O)[C@H](CCCCC#C)C)C)C(C)C)C)C(C)C
Metabolite of Species Details
Lyngbya majuscula (NCBI:txid158786) See: PubMed
ChEBI Ontology
Outgoing Dragonamide B (CHEBI:217166) is a valine derivative (CHEBI:27267)
IUPAC Name
(2S)-N-[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]-methylamino]-3-methyl-1-oxobutan-2-yl]-methylamino]-3-methyl-1-oxobutan-2-yl]-methylamino]-3-methyl-1-oxobutan-2-yl]-N,2-dimethyloct-7-ynamide
Manual Xref Database
20568905 ChemSpider
View more database links