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CHEBI:210566 - Paecilodepsipeptide C

ChEBI IDCHEBI:210566
ChEBI NamePaecilodepsipeptide C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC41H51N5O10
Net Charge0
Average Mass773.884
Monoisotopic Mass773.36359
SMILESCOC(=O)[C@@H](Cc1ccc(OCC=C(C)C)cc1)NC(=O)[C@@H](C)NC(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@@H](O)Cc1ccccc1
InChIInChI=1S/C41H51N5O10/c1-25(2)19-20-56-32-17-13-30(14-18-32)22-34(41(54)55-5)46-38(51)27(4)43-39(52)33(21-29-11-15-31(47)16-12-29)45-36(49)24-42-37(50)26(3)44-40(53)35(48)23-28-9-7-6-8-10-28/h6-19,26-27,33-35,47-48H,20-24H2,1-5H3,(H,42,50)(H,43,52)(H,44,53)(H,45,49)(H,46,51)/t26-,27+,33+,34+,35-/m0/s1
InChIKeyBRNVVRZOPMOJBI-ZIOXGVOXSA-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 C (CHEBI:210566) is a oligopeptide (CHEBI:25676)
IUPAC Name 
methyl (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]propanoate
Manual XrefsDatabases
17344045ChemSpider