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CHEBI:198188 - Paecilodepsipeptide B

ChEBI IDCHEBI:198188
ChEBI NamePaecilodepsipeptide B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC40H49N5O10
Net Charge0
Average Mass759.857
Monoisotopic Mass759.34794
SMILESCC(C)=CCOc1ccc(C[C@@H](NC(=O)[C@@H](C)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@@H](O)Cc2ccccc2)C(=O)O)cc1
InChIInChI=1S/C40H49N5O10/c1-24(2)18-19-55-31-16-12-29(13-17-31)21-33(40(53)54)45-37(50)26(4)42-38(51)32(20-28-10-14-30(46)15-11-28)44-35(48)23-41-36(49)25(3)43-39(52)34(47)22-27-8-6-5-7-9-27/h5-18,25-26,32-34,46-47H,19-23H2,1-4H3,(H,41,49)(H,42,51)(H,43,52)(H,44,48)(H,45,50)(H,53,54)/t25-,26+,32+,33+,34-/m0/s1
InChIKeyBRRIQKRUEWKTLZ-ZIWQVPDVSA-N
Species of MetaboliteComponentSourceComments
Paecilomyces (ncbitaxon:33202) - PubMed (17269825)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Paecilodepsipeptide B (CHEBI:198188) is a oligopeptide (CHEBI:25676)
IUPAC Name 
(2R)-2-[[(2R)-2-[[(2R)-3-(4-hydroxyphenyl)-2-[[2-[[(2S)-2-[[(2S)-2-hydroxy-3-phenylpropanoyl]amino]propanoyl]amino]acetyl]amino]propanoyl]amino]propanoyl]amino]-3-[4-(3-methylbut-2-enoxy)phenyl]propanoic acid
Manual XrefsDatabases
17344168ChemSpider