EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:200640 - Cycloaspeptide G

ChEBI IDCHEBI:200640
ChEBI NameCycloaspeptide G
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC36H43N5O7
Net Charge0
Average Mass657.768
Monoisotopic Mass657.31625
SMILESCC(C)C[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)N(C)C(=O)[C@H](C)NC(=O)c2ccccc2NC(=O)[C@H](Cc2ccc(O)cc2)N(C)C1=O
InChIInChI=1S/C36H43N5O7/c1-21(2)18-29-36(48)41(5)31(20-24-12-16-26(43)17-13-24)33(45)38-28-9-7-6-8-27(28)32(44)37-22(3)35(47)40(4)30(34(46)39-29)19-23-10-14-25(42)15-11-23/h6-17,21-22,29-31,42-43H,18-20H2,1-5H3,(H,37,44)(H,38,45)(H,39,46)/t22-,29-,30-,31-/m0/s1
InChIKeyCXJXJVPRDGROSV-RHFBVIABSA-N
Species of MetaboliteComponentSourceComments
Cordyceps farinosa (ncbitaxon:89141) - PubMed (19572613)
ChEBI Ontology
Outgoing Relation(s)
Cycloaspeptide G (CHEBI:200640) is a azamacrocycle (CHEBI:52898)
Cycloaspeptide G (CHEBI:200640) is a keratan 6'-sulfate (CHEBI:18331)
IUPAC Name 
(4S,7S,10S,13S)-4,10-bis[(4-hydroxyphenyl)methyl]-5,11,13-trimethyl-7-(2-methylpropyl)-2,5,8,11,14-pentazabicyclo[14.4.0]icosa-1(20),16,18-triene-3,6,9,12,15-pentone
Manual XrefsDatabases
24613446ChemSpider