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CHEBI:217308 - Pchaeglobosal B

ChEBI IDCHEBI:217308
ChEBI NamePchaeglobosal B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC32H36N2O5
Net Charge0
Average Mass528.649
Monoisotopic Mass528.26242
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)/C=C/C(=O)[C@@H]1O
InChIInChI=1S/C32H36N2O5/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/h5-7,9-14,16-18,20,24,26,28-29,33,38H,8,15H2,1-4H3,(H,34,39)/b11-7+,13-12+,19-14+/t18-,20-,24-,26-,28-,29+,31-,32+/m0/s1
InChIKeyOHIWCECDJWTPND-LEUDPPCHSA-N
Species of MetaboliteComponentSourceComments
Chaetomium (ncbitaxon:5149) - PubMed (33270452)
ChEBI Ontology
Outgoing Relation(s)
Pchaeglobosal B (CHEBI:217308) is a azamacrocycle (CHEBI:52898)
Pchaeglobosal B (CHEBI:217308) is a keratan 6'-sulfate (CHEBI:18331)
IUPAC Name 
(1S,3E,6R,7E,9S,11E,13S,14S,15S,16R,17S)-6-hydroxy-17-(1H-indol-3-ylmethyl)-7,9,14,15-tetramethyl-2,5,19-trioxo-18-azatricyclo[11.6.0.01,16]nonadeca-3,7,11-triene-14-carbaldehyde