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CHEBI:169592 - Dynorphin B (10-13)

ChEBI IDCHEBI:169592
ChEBI NameDynorphin B (10-13)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H39N5O6
Net Charge0
Average Mass445.561
Monoisotopic Mass445.29003
SMILESCC(C)[C@H](NC(=O)[C@H](N)CCCCN)C(=O)N[C@@H](C(=O)N[C@H](C(=O)O)[C@H](C)O)C(C)C
InChIInChI=1S/C20H39N5O6/c1-10(2)14(23-17(27)13(22)8-6-7-9-21)18(28)24-15(11(3)4)19(29)25-16(12(5)26)20(30)31/h10-16,26H,6-9,21-22H2,1-5H3,(H,23,27)(H,24,28)(H,25,29)(H,30,31)/t12-,13+,14-,15+,16-/m0/s1
InChIKeyVSLCIGXQLCYQTD-NPJQDHAYSA-N
Species of MetaboliteComponentSourceComments
Malus domestica (ncbitaxon:3750) exocarp (BTO:0000733) MetaboLights (MTBLS2384) Strain: Malus x domestica Borkh. cv. Ruixue
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Dynorphin B (10-13) (CHEBI:169592) is a oligopeptide (CHEBI:25676)
IUPAC Name 
(2S,3S)-2-[[(2R)-2-[[(2S)-2-[[(2R)-2,6-diaminohexanoyl]amino]-3-methylbutanoyl]amino]-3-methylbutanoyl]amino]-3-hydroxybutanoic acid
Manual XrefsDatabases
HMDB0012936HMDB
30776665ChemSpider