CHEBI:211710 - Terpeptin 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 Terpeptin B
ChEBI ID CHEBI:211710
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C28H40N4O4
Net Charge 0
Average Mass 496.652
Monoisotopic Mass 496.30496
InChI InChI=1S/C28H40N4O4/c1-17(2)13-14-28(21-11-9-10-12-22(21)31-27(28)36)15-16-29-25(34)24(19(5)6)32(8)26(35)23(18(3)4)30-20(7)33/h9-13,15-16,18-19,23-24H,14H2,1-8H3,(H,29,34)(H,30,33)(H,31,36)/b16-15-/t23-,24-,28-/m0/s1
InChIKey RVCGZLLNFZYJTG-AUDVIQTNSA-N
SMILES O=C1NC=2C=CC=CC2[C@@]1(/C=C\NC(=O)[C@@H](N(C(=O)[C@@H](NC(=O)C)C(C)C)C)C(C)C)CC=C(C)C
Metabolite of Species Details
Aspergillus (NCBI:txid5052) 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 Terpeptin B (CHEBI:211710) is a dipeptide (CHEBI:46761)
IUPAC Name
(2S)-2-acetamido-N,3-dimethyl-N-[(2S)-3-methyl-1-[[(Z)-2-[(3S)-3-(3-methylbut-2-enyl)-2-oxo-1H-indol-3-yl]ethenyl]amino]-1-oxobutan-2-yl]butanamide
Manual Xref Database
27023431 ChemSpider
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