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CHEBI:207535 - Mycestericin B

ChEBI IDCHEBI:207535
ChEBI NameMycestericin B
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SubmitterMetaboLights
DownloadsMolfile
FormulaC21H41NO6
Net Charge0
Average Mass403.560
Monoisotopic Mass403.29339
SMILESCCCCCCC(O)CCCCCC/C=C/C[C@@H](O)[C@H](O)C(N)(CO)C(=O)O
InChIInChI=1S/C21H41NO6/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/h9,12,17-19,23-26H,2-8,10-11,13-16,22H2,1H3,(H,27,28)/b12-9+/t17?,18-,19+,21?/m1/s1
InChIKeyVYUHMYFZWTWSOT-MVLVSFFCSA-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 B (CHEBI:207535) is a long-chain fatty acid (CHEBI:15904)
IUPAC Name 
(E,3R,4R)-2-amino-3,4,14-trihydroxy-2-(hydroxymethyl)icos-6-enoic acid
Manual XrefsDatabases
78437338ChemSpider