CHEBI:184075 - N-(3-hydroxy-2-methylbenzoyl)-l-valyl-n-[(1s,2e)-4-ethoxy-1-(2-methylpropyl)-4-oxo-2-butenyl]-l-serinamide

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ChEBI Name N-(3-hydroxy-2-methylbenzoyl)-l-valyl-n-[(1s,2e)-4-ethoxy-1-(2-methylpropyl)-4-oxo-2-butenyl]-l-serinamide
ChEBI ID CHEBI:184075
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C26H39N3O7
Net Charge 0
Average Mass 505.612
Monoisotopic Mass 505.27880
InChI InChI=1S/C26H39N3O7/c1-7-36-22(32)12-11-18(13-15(2)3)27-25(34)20(14-30)28-26(35)23(16(4)5)29-24(33)19-9-8-10-21(31)17(19)6/h8-12,15-16,18,20,23,30-31H,7,13-14H2,1-6H3,(H,27,34)(H,28,35)(H,29,33)/b12-11+/t18-,20+,23+/m1/s1
InChIKey YQKMRGLFGXKLJC-VOSPOJDESA-N
SMILES O=C(N[C@H](C(=O)N[C@@H](CC(C)C)/C=C/C(OCC)=O)CO)[C@@H](NC(=O)C1=C(C(O)=CC=C1)C)C(C)C
Metabolite of Species Details
Mus musculus (NCBI:txid10090) Found in small intestine (BTO:0000651). of strain C57BL/6 Mouse [THESAURUS.OWL#C14424] See: MetaboLights Study
Nippostrongylus brasiliensis (NCBI:txid27835) Found in Whole Organism (THESAURUS.OWL#C13413). 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 N-(3-hydroxy-2-methylbenzoyl)-l-valyl-n-[(1s,2e)-4-ethoxy-1-(2-methylpropyl)-4-oxo-2-butenyl]-l-serinamide (CHEBI:184075) is a dipeptide (CHEBI:46761)
IUPAC Name
ethyl (E,4S)-4-[[(2S)-3-hydroxy-2-[[(2S)-2-[(3-hydroxy-2-methylbenzoyl)amino]-3-methylbutanoyl]amino]propanoyl]amino]-6-methylhept-2-enoate
Manual Xref Database
9927189 ChemSpider
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