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CHEBI:225456 - Pseudacyclin E

ChEBI IDCHEBI:225456
ChEBI NamePseudacyclin E
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC37H57N7O7
Net Charge0
Average Mass711.905
Monoisotopic Mass711.43195
SMILESCC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)[C@@H](NC(C)=O)C(C)C)CCCNC(=O)[C@H](C(C)C)NC1=O
InChIInChI=1S/C37H57N7O7/c1-8-23(6)31-36(50)42-29(21(2)3)34(48)38-18-12-16-26(40-35(49)30(22(4)5)39-24(7)45)32(46)41-27(20-25-14-10-9-11-15-25)37(51)44-19-13-17-28(44)33(47)43-31/h9-11,14-15,21-23,26-31H,8,12-13,16-20H2,1-7H3,(H,38,48)(H,39,45)(H,40,49)(H,41,46)(H,42,50)(H,43,47)/t23-,26-,27+,28-,29-,30-,31-/m0/s1
InChIKeyKGWMDHGTMDDFCU-WAVVYUKHSA-N
Species of MetaboliteComponentSourceComments
Scedosporium boydii (ncbitaxon:5597) - PubMed (20509707)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Pseudacyclin E (CHEBI:225456) is a oligopeptide (CHEBI:25676)
IUPAC Name 
(2S)-2-acetamido-N-[(3R,6S,12S,15S,18S)-3-benzyl-15-[(2S)-butan-2-yl]-2,5,11,14,17-pentaoxo-12-propan-2-yl-1,4,10,13,16-pentazabicyclo[16.3.0]henicosan-6-yl]-3-methylbutanamide
Manual XrefsDatabases
78437781ChemSpider