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CHEBI:204784 - Mycestericin A

ChEBI IDCHEBI:204784
ChEBI NameMycestericin A
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SubmitterMetaboLights
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FormulaC21H39NO6
Net Charge0
Average Mass401.544
Monoisotopic Mass401.27774
SMILESCCCCCCC(O)/C=C/CCCC/C=C/C[C@@H](O)[C@H](O)C(N)(CO)C(=O)O
InChIInChI=1S/C21H39NO6/c1-2-3-4-10-13-17(24)14-11-8-6-5-7-9-12-15-18(25)19(26)21(22,16-23)20(27)28/h9,11-12,14,17-19,23-26H,2-8,10,13,15-16,22H2,1H3,(H,27,28)/b12-9+,14-11+/t17?,18-,19+,21?/m1/s1
InChIKeySPUGTKTYKGAGRY-SQMTXKEFSA-N
ChEBI Ontology
Outgoing Relation(s)
Mycestericin A (CHEBI:204784) is a icosanoid (CHEBI:23899)
IUPAC Name 
(3R,4R,6E,12E)-2-amino-3,4,14-trihydroxy-2-(hydroxymethyl)icosa-6,12-dienoic acid
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78437192ChemSpider