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CHEBI:206405 - Pseudacyclin A

ChEBI IDCHEBI:206405
ChEBI NamePseudacyclin A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC39H61N7O7
Net Charge0
Average Mass739.959
Monoisotopic Mass739.46325
SMILESCC[C@H](C)[C@H](NC(C)=O)C(=O)N[C@H]1CCCNC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccccc2)NC1=O
InChIInChI=1S/C39H61N7O7/c1-8-23(4)31-36(50)40-20-14-18-28(42-37(51)32(24(5)9-2)41-26(7)47)34(48)43-29(22-27-16-12-11-13-17-27)39(53)46-21-15-19-30(46)35(49)44-33(25(6)10-3)38(52)45-31/h11-13,16-17,23-25,28-33H,8-10,14-15,18-22H2,1-7H3,(H,40,50)(H,41,47)(H,42,51)(H,43,48)(H,44,49)(H,45,52)/t23-,24-,25-,28-,29+,30-,31-,32-,33-/m0/s1
InChIKeyRGAWRDNXJUOZMG-XACDJEMLSA-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 A (CHEBI:206405) is a oligopeptide (CHEBI:25676)
IUPAC Name 
(2S,3S)-2-acetamido-N-[(3R,6S,12S,15S,18S)-3-benzyl-12,15-bis[(2S)-butan-2-yl]-2,5,11,14,17-pentaoxo-1,4,10,13,16-pentazabicyclo[16.3.0]henicosan-6-yl]-3-methylpentanamide
Manual XrefsDatabases
25028474ChemSpider