CHEBI:216013 - Sinulariapeptide E

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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 Sinulariapeptide E
ChEBI ID CHEBI:216013
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information ZINC000004097885
Download Molfile XML SDF
Formula C16H22N2O3
Net Charge 0
Average Mass 290.363
Monoisotopic Mass 290.16304
InChI InChI=1S/C16H22N2O3/c1-10(11(2)19)14-16(21)18(3)13(15(20)17-14)9-12-7-5-4-6-8-12/h4-8,10-11,13-14,19H,9H2,1-3H3,(H,17,20)/t10-,11+,13+,14-/m0/s1
InChIKey INKLEHBIDANLJD-UNJBNNCHSA-N
SMILES O=C1N([C@@H](C(=O)N[C@H]1[C@H]([C@H](O)C)C)CC2=CC=CC=C2)C
Metabolite of Species Details
Simplicillium (NCBI:txid292631) See: PubMed
ChEBI Ontology
Outgoing Sinulariapeptide E (CHEBI:216013) has functional parent α-amino acid (CHEBI:33704)
Sinulariapeptide E (CHEBI:216013) is a organonitrogen compound (CHEBI:35352)
Sinulariapeptide E (CHEBI:216013) is a organooxygen compound (CHEBI:36963)
IUPAC Name
(3S,6R)-6-benzyl-3-[(2R,3R)-3-hydroxybutan-2-yl]-1-methylpiperazine-2,5-dione
Manual Xref Database
78442203 ChemSpider
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