CHEBI:207535 - Mycestericin B

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Mycestericin B
ChEBI ID CHEBI:207535
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C21H41NO6
Net Charge 0
Average Mass 403.560
Monoisotopic Mass 403.29339
InChI InChI=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
InChIKey VYUHMYFZWTWSOT-MVLVSFFCSA-N
SMILES O=C(O)C(N)([C@@H](O)[C@H](O)C/C=C/CCCCCCC(O)CCCCCC)CO
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
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ChEBI Ontology
Outgoing 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 Xref Database
78437338 ChemSpider
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