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CHEBI:205282 - Apicidin F

ChEBI IDCHEBI:205282
ChEBI NameApicidin F
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC35H43N5O7
Net Charge0
Average Mass645.757
Monoisotopic Mass645.31625
SMILESCOn1cc(C[C@@H]2NC(=O)[C@H](CCCCCC(=O)O)NC(=O)[C@H]3CCCCN3C(=O)[C@H](Cc3ccccc3)NC2=O)c2ccccc21
InChIInChI=1S/C35H43N5O7/c1-47-40-22-24(25-14-8-9-16-29(25)40)21-27-33(44)38-28(20-23-12-4-2-5-13-23)35(46)39-19-11-10-17-30(39)34(45)36-26(32(43)37-27)15-6-3-7-18-31(41)42/h2,4-5,8-9,12-14,16,22,26-28,30H,3,6-7,10-11,15,17-21H2,1H3,(H,36,45)(H,37,43)(H,38,44)(H,41,42)/t26-,27-,28-,30+/m0/s1
InChIKeyNTAHFSRRNUUVIN-VNDOHOEKSA-N
Species of MetaboliteComponentSourceComments
Fusarium fujikuroi (ncbitaxon:5127) - PubMed (24195442)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Apicidin F (CHEBI:205282) is a oligopeptide (CHEBI:25676)
IUPAC Name 
6-[(3S,6S,9S,12R)-3-benzyl-6-[(1-methoxyindol-3-yl)methyl]-2,5,8,11-tetraoxo-1,4,7,10-tetrazabicyclo[10.4.0]hexadecan-9-yl]hexanoic acid
Manual XrefsDatabases
31142541ChemSpider