CHEBI:224939 - Tupuseleiamide 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 Tupuseleiamide B
ChEBI ID CHEBI:224939
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C21H32N2O6
Net Charge 0
Average Mass 408.495
Monoisotopic Mass 408.22604
InChI InChI=1S/C21H32N2O6/c1-3-14(2)6-4-5-7-19(26)22-18(13-24)20(27)23-17(21(28)29)12-15-8-10-16(25)11-9-15/h8-11,14,17-18,24-25H,3-7,12-13H2,1-2H3,(H,22,26)(H,23,27)(H,28,29)/t14?,17-,18-/m1/s1
InChIKey FBYUEJHPHPDFPG-KNHHTTPFSA-N
SMILES O=C(O)[C@H](NC(=O)[C@H](NC(=O)CCCCC(CC)C)CO)CC1=CC=C(O)C=C1
Metabolite of Species Details
Brevibacillus laterosporus (NCBI:txid1465) 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 Tupuseleiamide B (CHEBI:224939) is a dipeptide (CHEBI:46761)
IUPAC Name
(2R)-2-[[(2R)-3-hydroxy-2-(6-methyloctanoylamino)propanoyl]amino]-3-(4-hydroxyphenyl)propanoic acid
Manual Xref Database
9907012 ChemSpider
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