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CHEBI:197736 - Pullularin F

ChEBI IDCHEBI:197736
ChEBI NamePullularin F
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC38H52N4O9
Net Charge0
Average Mass708.853
Monoisotopic Mass708.37343
SMILESCC[C@H](C)[C@@H](C(=O)N[C@@H](Cc1ccc(OCC=C(C)C)cc1)C(=O)O)N(C)C(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)C(O)Cc1ccccc1
InChIInChI=1S/C38H52N4O9/c1-6-25(4)33(35(46)39-29(38(49)50)21-27-14-16-28(17-15-27)51-20-18-24(2)3)41(5)36(47)30(23-43)40-34(45)31-13-10-19-42(31)37(48)32(44)22-26-11-8-7-9-12-26/h7-9,11-12,14-18,25,29-33,43-44H,6,10,13,19-23H2,1-5H3,(H,39,46)(H,40,45)(H,49,50)/t25-,29-,30-,31-,32?,33-/m0/s1
InChIKeyHGRKCBGERCWAPT-AJLYFVEGSA-N
Species of MetaboliteComponentSourceComments
Clonostachys rosea (ncbitaxon:29856) - PubMed (22822358)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Pullularin F (CHEBI:197736) is a peptide (CHEBI:16670)
IUPAC Name 
(2S)-2-[[(2S,3S)-2-[[(2S)-3-hydroxy-2-[[(2S)-1-(2-hydroxy-3-phenylpropanoyl)pyrrolidine-2-carbonyl]amino]propanoyl]-methylamino]-3-methylpentanoyl]amino]-3-[4-(3-methylbut-2-enoxy)phenyl]propanoic acid
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