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CHEBI:217303 - Pchaeglobosal A

ChEBI IDCHEBI:217303
ChEBI NamePchaeglobosal A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC32H38N2O5
Net Charge0
Average Mass530.665
Monoisotopic Mass530.27807
SMILESC/C1=C\[C@@H](C)C/C=C/[C@H]2[C@@](C)(C=O)[C@@H](C)[C@H]3[C@H](Cc4cnc5ccccc45)NC(=O)[C@]32C(=O)CC[C@H](O)C1=O
InChIInChI=1S/C32H38N2O5/c1-18-8-7-11-26-31(4,17-35)20(3)28-24(15-21-16-33-23-10-6-5-9-22(21)23)34-30(39)32(26,28)27(37)13-12-25(36)29(38)19(2)14-18/h5-7,9-11,14,16-18,20,24-26,28,33,36H,8,12-13,15H2,1-4H3,(H,34,39)/b11-7+,19-14+/t18-,20-,24-,25-,26-,28-,31-,32+/m0/s1
InChIKeyFQVKFQJCDBWJLL-UHUAMHSNSA-N
Species of MetaboliteComponentSourceComments
Chaetomium (ncbitaxon:5149) - PubMed (33270452)
ChEBI Ontology
Outgoing Relation(s)
Pchaeglobosal A (CHEBI:217303) is a azamacrocycle (CHEBI:52898)
Pchaeglobosal A (CHEBI:217303) is a keratan 6'-sulfate (CHEBI:18331)
IUPAC Name 
(1S,5S,7E,9S,11E,13S,14S,15S,16R,17S)-5-hydroxy-17-(1H-indol-3-ylmethyl)-7,9,14,15-tetramethyl-2,6,19-trioxo-18-azatricyclo[11.6.0.01,16]nonadeca-7,11-diene-14-carbaldehyde