CHEBI:207236 - Biseokeaniamide 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 Biseokeaniamide B
ChEBI ID CHEBI:207236
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information No supplier information found for this compound.
Download Molfile XML SDF
Formula C41H63N7O6S
Net Charge 0
Average Mass 782.060
Monoisotopic Mass 781.45605
InChI InChI=1S/C41H63N7O6S/c1-11-16-34(49)47(10)36(28(6)7)41(54)48-21-15-19-31(48)39(52)46(9)32(24-29-17-13-12-14-18-29)38(51)43-30(23-26(2)3)37(50)44-35(27(4)5)40(53)45(8)25-33-42-20-22-55-33/h12-14,17-18,20,22,26-28,30-32,35-36H,11,15-16,19,21,23-25H2,1-10H3,(H,43,51)(H,44,50)/t30-,31-,32-,35-,36-/m0/s1
InChIKey CHXLGCMMIDZPRB-XGQIDOAOSA-N
SMILES S1C(=NC=C1)CN(C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](N(C(=O)[C@H]2N(C(=O)[C@@H](N(C(=O)CCC)C)C(C)C)CCC2)C)CC3=CC=CC=C3)CC(C)C)C(C)C)C
Metabolite of Species Details
Okeania (NCBI:txid1458928) See: PubMed
Roles Classification
Chemical Role(s): Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
(via organic amino compound )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing Biseokeaniamide B (CHEBI:207236) is a peptide (CHEBI:16670)
IUPAC Name
(2S)-1-[(2S)-2-[butanoyl(methyl)amino]-3-methylbutanoyl]-N-methyl-N-[(2S)-1-[[(2S)-4-methyl-1-[[(2S)-3-methyl-1-[methyl(1,3-thiazol-2-ylmethyl)amino]-1-oxobutan-2-yl]amino]-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]pyrrolidine-2-carboxamide
Manual Xref Database
61708610 ChemSpider
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