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CHEBI:224267 - Detoxin D1

ChEBI IDCHEBI:224267
ChEBI NameDetoxin D1
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC28H41N3O8
Net Charge0
Average Mass547.649
Monoisotopic Mass547.28937
SMILESCC[C@H](C)C(=O)NC(Cc1ccccc1)C(=O)O[C@@H](CC(=O)O)C1[C@H](OC(C)=O)CCN1C(=O)[C@@H](N)C(C)C
InChIInChI=1S/C28H41N3O8/c1-6-17(4)26(35)30-20(14-19-10-8-7-9-11-19)28(37)39-22(15-23(33)34)25-21(38-18(5)32)12-13-31(25)27(36)24(29)16(2)3/h7-11,16-17,20-22,24-25H,6,12-15,29H2,1-5H3,(H,30,35)(H,33,34)/t17-,20?,21+,22-,24-,25?/m0/s1
InChIKeyGOZDOQQVOQTNBQ-MJMBSILGSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (5726294)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Detoxin D1 (CHEBI:224267) is a peptide (CHEBI:16670)
IUPAC Name 
(3S)-3-[(3R)-3-acetyloxy-1-[(2S)-2-amino-3-methylbutanoyl]pyrrolidin-2-yl]-3-[2-[[(2S)-2-methylbutanoyl]amino]-3-phenylpropanoyl]oxypropanoic acid
Manual XrefsDatabases
8658009ChemSpider