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CHEBI:213142 - Mycestericin E

ChEBI IDCHEBI:213142
ChEBI NameMycestericin E
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SubmitterMetaboLights
DownloadsMolfile
FormulaC21H39NO5
Net Charge0
Average Mass385.545
Monoisotopic Mass385.28282
SMILESCCCCCCC(=O)CCCCCC/C=C/CC[C@@H](O)[C@@](N)(CO)C(=O)O
InChIInChI=1S/C21H39NO5/c1-2-3-4-11-14-18(24)15-12-9-7-5-6-8-10-13-16-19(25)21(22,17-23)20(26)27/h8,10,19,23,25H,2-7,9,11-17,22H2,1H3,(H,26,27)/b10-8+/t19-,21+/m1/s1
InChIKeyCYGFHEVFZXDUGH-ANXGTHGUSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
Mycestericin E (CHEBI:213142) is a long-chain fatty acid (CHEBI:15904)
IUPAC Name 
(E,2S,3R)-2-amino-3-hydroxy-2-(hydroxymethyl)-14-oxoicos-6-enoic acid
Manual XrefsDatabases
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