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CHEBI:216201 - Endolide A

ChEBI IDCHEBI:216201
ChEBI NameEndolide A
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SubmitterMetaboLights
DownloadsMolfile
FormulaC27H38N4O6
Net Charge0
Average Mass514.623
Monoisotopic Mass514.27913
SMILESCC(C)C[C@@H]1NC(=O)[C@H](Cc2ccoc2)N(C)C(=O)[C@H](C(C)C)NC(=O)[C@H](Cc2ccoc2)N(C)C1=O
InChIInChI=1S/C27H38N4O6/c1-16(2)11-20-26(34)30(5)22(13-19-8-10-37-15-19)25(33)29-23(17(3)4)27(35)31(6)21(24(32)28-20)12-18-7-9-36-14-18/h7-10,14-17,20-23H,11-13H2,1-6H3,(H,28,32)(H,29,33)/t20-,21-,22-,23-/m0/s1
InChIKeyAAXRHGMEDOIXIE-MLCQCVOFSA-N
Species of MetaboliteComponentSourceComments
Stachylidium (ncbitaxon:796327) - PubMed (26771858)
ChEBI Ontology
Outgoing Relation(s)
Endolide A (CHEBI:216201) has functional parent α-amino acid (CHEBI:33704)
Endolide A (CHEBI:216201) is a organonitrogen compound (CHEBI:35352)
Endolide A (CHEBI:216201) is a organooxygen compound (CHEBI:36963)
IUPAC Name 
(3S,6S,9S,12S)-6,12-bis(uran-3-ylmethyl)-1,7-dimethyl-3-(2-methylpropyl)-9-propan-2-yl-1,4,7,10-tetrazacyclododecane-2,5,8,11-tetrone
Manual XrefsDatabases
44210697ChemSpider