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CHEBI:216007 - Sinulariapeptide D

ChEBI IDCHEBI:216007
ChEBI NameSinulariapeptide D
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SubmitterMetaboLights
DownloadsMolfile
FormulaC23H29N3O4
Net Charge0
Average Mass411.502
Monoisotopic Mass411.21581
SMILESCN[C@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)Nc1ccccc1C(=O)O
InChIInChI=1S/C23H29N3O4/c1-15(2)13-20(22(28)25-18-12-8-7-11-17(18)23(29)30)26-21(27)19(24-3)14-16-9-5-4-6-10-16/h4-12,15,19-20,24H,13-14H2,1-3H3,(H,25,28)(H,26,27)(H,29,30)/t19-,20+/m1/s1
InChIKeyUBDWLHPISVQREF-UXHICEINSA-N
Species of MetaboliteComponentSourceComments
Simplicillium (ncbitaxon:292631) - PubMed (30006088)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Sinulariapeptide D (CHEBI:216007) is a peptide (CHEBI:16670)
IUPAC Name 
2-[[(2S)-4-methyl-2-[[(2R)-2-(methylamino)-3-phenylpropanoyl]amino]pentanoyl]amino]benzoic acid
Manual XrefsDatabases
71048862ChemSpider