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CHEBI:39082 - linkable staurosporine analogue

ChEBI IDCHEBI:39082
ChEBI Namelinkable staurosporine analogue
Stars
DefinitionAn analogue of staurosporine where the N-methyl group is replaced by a long-chain acyl group.
Last Modified6 March 2014
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC37H43N5O8
Net Charge0
Average Mass685.778
Monoisotopic Mass685.31116
SMILESCO[C@@H]1[C@H](NC(=O)CCOCCOCCOCCOCN)C[C@H]2O[C@]1(C)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4
InChIInChI=1S/C37H43N5O8/c1-37-35(45-2)25(40-28(43)11-12-46-13-14-47-15-16-48-17-18-49-21-38)19-29(50-37)41-26-9-5-3-7-22(26)31-32-24(20-39-36(32)44)30-23-8-4-6-10-27(23)42(37)34(30)33(31)41/h3-10,25,29,35H,11-21,38H2,1-2H3,(H,39,44)(H,40,43)/t25-,29-,35-,37+/m1/s1
InChIKeyDTWUHUOPQPMWEM-KTDPSVJKSA-N
ChEBI Ontology
Outgoing Relation(s)
linkable staurosporine analogue (CHEBI:39082) has functional parent staurosporine (CHEBI:15738)
linkable staurosporine analogue (CHEBI:39082) is a indolocarbazole (CHEBI:51915)
linkable staurosporine analogue (CHEBI:39082) is a monocarboxylic acid amide (CHEBI:29347)
linkable staurosporine analogue (CHEBI:39082) is a organic heterooctacyclic compound (CHEBI:38165)
linkable staurosporine analogue (CHEBI:39082) is a polyether (CHEBI:46774)
IUPAC Name 
1-amino-N-[(5S,6R,7R,9R)-6-methoxy-5-methyl-14-oxo-6,7,8,9,15,16-hexahydro-5H,14H-5,9-epoxy-4b,9a,15-triazadibenzo[b,h]cyclonona[1,2,3,4-jkl]cyclopenta[e]-as-indacen-7-yl]-2,5,8,11-tetraoxatetradecan-14-amide