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CHEBI:198507 - Pseudacyclin C

ChEBI IDCHEBI:198507
ChEBI NamePseudacyclin C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC40H63N7O7
Net Charge0
Average Mass753.986
Monoisotopic Mass753.47890
SMILESCC[C@H](C)[C@@H]1NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)[C@H]([C@@H](C)CC)N(C)C(C)=O)CCCNC1=O
InChIInChI=1S/C40H63N7O7/c1-9-24(4)32-37(51)41-21-15-19-29(42-39(53)34(26(6)11-3)46(8)27(7)48)35(49)43-30(23-28-17-13-12-14-18-28)40(54)47-22-16-20-31(47)36(50)44-33(25(5)10-2)38(52)45-32/h12-14,17-18,24-26,29-34H,9-11,15-16,19-23H2,1-8H3,(H,41,51)(H,42,53)(H,43,49)(H,44,50)(H,45,52)/t24-,25-,26-,29-,30+,31-,32-,33-,34-/m0/s1
InChIKeyYBIGNOKMKPRNRS-WEDOBBKMSA-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 C (CHEBI:198507) is a oligopeptide (CHEBI:25676)
IUPAC Name 
(2S,3S)-2-[acetyl(methyl)amino]-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
78436364ChemSpider