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CHEBI:214731 - Pseudacyclin D

ChEBI IDCHEBI:214731
ChEBI NamePseudacyclin D
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC38H59N7O7
Net Charge0
Average Mass725.932
Monoisotopic Mass725.44760
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](NC(C)=O)C(C)C)CCCNC1=O
InChIInChI=1S/C38H59N7O7/c1-8-23(5)31-35(49)39-19-13-17-27(41-36(50)30(22(3)4)40-25(7)46)33(47)42-28(21-26-15-11-10-12-16-26)38(52)45-20-14-18-29(45)34(48)43-32(24(6)9-2)37(51)44-31/h10-12,15-16,22-24,27-32H,8-9,13-14,17-21H2,1-7H3,(H,39,49)(H,40,46)(H,41,50)(H,42,47)(H,43,48)(H,44,51)/t23-,24-,27-,28+,29-,30-,31-,32-/m0/s1
InChIKeySYCUFMZOQQUCHM-XYEGUOSDSA-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 D (CHEBI:214731) is a oligopeptide (CHEBI:25676)
IUPAC Name 
(2S)-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-methylbutanamide
Manual XrefsDatabases
78438594ChemSpider