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CHEBI:216944 - Soliseptide A

ChEBI IDCHEBI:216944
ChEBI NameSoliseptide A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC31H54N8O9
Net Charge0
Average Mass682.820
Monoisotopic Mass682.40138
SMILESCC(C)C[C@H]1C(=O)N2NC[C@H](O)C[C@@H]2C(=O)N(C)[C@@H](C(C)C)C(=O)N2NCCC[C@@H]2C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@H](C(C)C)C(=O)N1O
InChIInChI=1S/C31H54N8O9/c1-15(2)12-22-29(45)38-21(13-19(41)14-33-38)28(44)36(8)25(17(5)6)31(47)37-20(10-9-11-32-37)26(42)35-24(18(7)40)27(43)34-23(16(3)4)30(46)39(22)48/h15-25,32-33,40-41,48H,9-14H2,1-8H3,(H,34,43)(H,35,42)/t18-,19-,20-,21-,22+,23-,24+,25+/m1/s1
InChIKeyDMXYJHVUOOQCBE-ZZPPOGJJSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (29441782)
ChEBI Ontology
Outgoing Relation(s)
Soliseptide A (CHEBI:216944) is a azamacrocycle (CHEBI:52898)
Soliseptide A (CHEBI:216944) is a keratan 6'-sulfate (CHEBI:18331)
IUPAC Name 
(3S,6R,8R,13S,16R,19S,22R)-8,14-dihydroxy-19-[(1R)-1-hydroxyethyl]-4-methyl-13-(2-methylpropyl)-3,16-di(propan-2-yl)-1,4,10,11,14,17,20,26-octazatricyclo[20.4.0.06,11]hexacosane-2,5,12,15,18,21-hexone
Manual XrefsDatabases
78439356ChemSpider