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CHEBI:198160 - Cycloaspeptide F

ChEBI IDCHEBI:198160
ChEBI NameCycloaspeptide F
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC42H53N5O11
Net Charge0
Average Mass803.910
Monoisotopic Mass803.37416
SMILESCC(C)C[C@@H]1NC(=O)[C@H](Cc2ccccc2)N(C)C(=O)[C@H](C)NC(=O)c2ccccc2NC(=O)[C@H](Cc2ccc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc2)N(C)C1=O
InChIInChI=1S/C42H53N5O11/c1-23(2)19-30-41(56)47(5)32(21-26-15-17-27(18-16-26)57-42-36(51)35(50)34(49)33(22-48)58-42)38(53)44-29-14-10-9-13-28(29)37(52)43-24(3)40(55)46(4)31(39(54)45-30)20-25-11-7-6-8-12-25/h6-18,23-24,30-36,42,48-51H,19-22H2,1-5H3,(H,43,52)(H,44,53)(H,45,54)/t24-,30-,31-,32-,33+,34+,35-,36+,42+/m0/s1
InChIKeyHGCDDJBOTFSYBL-HEZYXVPISA-N
Species of MetaboliteComponentSourceComments
Cordyceps farinosa (ncbitaxon:89141) - PubMed (19572613)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Cycloaspeptide F (CHEBI:198160) is a oligopeptide (CHEBI:25676)
IUPAC Name 
(4S,7S,10S,13S)-10-benzyl-5,11,13-trimethyl-7-(2-methylpropyl)-4-[[4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]methyl]-2,5,8,11,14-pentazabicyclo[14.4.0]icosa-1(20),16,18-triene-3,6,9,12,15-pentone
Manual XrefsDatabases
24618487ChemSpider