CHEBI:188834 - Tyropeptin A

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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 Tyropeptin A
ChEBI ID CHEBI:188834
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C28H37N3O6
Net Charge 0
Average Mass 511.619
Monoisotopic Mass 511.26824
InChI InChI=1S/C28H37N3O6/c1-17(2)13-25(35)30-24(15-20-7-11-23(34)12-8-20)27(36)31-26(18(3)4)28(37)29-21(16-32)14-19-5-9-22(33)10-6-19/h5-12,16-18,21,24,26,33-34H,13-15H2,1-4H3,(H,29,37)(H,30,35)(H,31,36)/t21?,24-,26-/m0/s1
InChIKey OSMJFYFZOAVCNP-KLZDYHPHSA-N
SMILES O=C(NC(CC1=CC=C(O)C=C1)C=O)[C@@H](NC(=O)[C@@H](NC(=O)CC(C)C)CC2=CC=C(O)C=C2)C(C)C
Metabolite of Species Details
Phyllostachys violascens (NCBI:txid1903417) Found in stem (BTO:0001300). of strain Phyllostachys violascens cv. Viridisulcata See: MetaboLights Study
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 Tyropeptin A (CHEBI:188834) is a dipeptide (CHEBI:46761)
IUPAC Name
(2S)-2-[[(2S)-3-(4-hydroxyphenyl)-2-(3-methylbutanoylamino)propanoyl]amino]-N-[1-(4-hydroxyphenyl)-3-oxopropan-2-yl]-3-methylbutanamide
Manual Xref Database
9908676 ChemSpider
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