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CHEBI:216674 - Dracolactam A

ChEBI IDCHEBI:216674
ChEBI NameDracolactam A
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SubmitterMetaboLights
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FormulaC28H39NO6
Net Charge0
Average Mass485.621
Monoisotopic Mass485.27774
SMILESCC1=C\[C@H]2[C@@H]3[C@H]4[C@H](O)C[C@H](C)N4C(=O)[C@H]3C=C[C@H]2/C=C/[C@H](C)[C@@H](O)[C@@H](O)[C@@H](O)C[C@@H](O)/C=C\C=C\1
InChIInChI=1S/C28H39NO6/c1-15-6-4-5-7-19(30)14-23(32)27(34)26(33)16(2)8-9-18-10-11-20-24(21(18)12-15)25-22(31)13-17(3)29(25)28(20)35/h4-12,16-27,30-34H,13-14H2,1-3H3/b6-4+,7-5+,9-8+,15-12+/t16-,17-,18+,19-,20-,21+,22+,23-,24+,25+,26+,27-/m0/s1
InChIKeySNZRFPDICOBLLA-VPPVLIERSA-N
ChEBI Ontology
Outgoing Relation(s)
Dracolactam A (CHEBI:216674) is a azamacrocycle (CHEBI:52898)
Dracolactam A (CHEBI:216674) is a keratan 6'-sulfate (CHEBI:18331)
IUPAC Name 
(1R,2E,4S,5R,6S,7S,9R,10E,12E,14E,16S,17S,18S,19R,21S,24S)-5,6,7,9,19-pentahydroxy-4,14,21-trimethyl-22-azatetracyclo[14.10.0.017,24.018,22]hexacosa-2,10,12,14,25-pentaen-23-one
Manual XrefsDatabases
78439330ChemSpider