CHEBI:198709 - Lysergyl-L-valyl methyl ester

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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 Lysergyl-L-valyl methyl ester
ChEBI ID CHEBI:198709
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 C22H27N3O3
Net Charge 0
Average Mass 381.476
Monoisotopic Mass 381.20524
InChI InChI=1S/C22H27N3O3/c1-12(2)20(22(27)28-4)24-21(26)14-8-16-15-6-5-7-17-19(15)13(10-23-17)9-18(16)25(3)11-14/h5-8,10,12,14,18,20,23H,9,11H2,1-4H3,(H,24,26)/t14-,18-,20?/m1/s1
InChIKey PUSHWZUNZAQTHW-GNTSEGDPSA-N
SMILES O=C(NC(C(=O)OC)C(C)C)[C@@H]1C=C2C3=C4C(NC=C4C[C@H]2N(C1)C)=CC=C3
Metabolite of Species Details
Clavicepsspecies (NCBI:txid2011970) 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 )
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ChEBI Ontology
Outgoing Lysergyl-L-valyl methyl ester (CHEBI:198709) is a peptide (CHEBI:16670)
IUPAC Name
methyl 2-[[(6aR,9R)-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-g]quinoline-9-carbonyl]amino]-3-methylbutanoate
Manual Xref Database
78439920 ChemSpider
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