ChEBI

CHEBI:208084 - 6-(aminomethyl)-3,4,5-trihydroxy-2-[(E)-3-hydroxy-2-[(2-hydroxy-12-methyltridecanoyl)amino]-18-methylnonadec-4-enoxy]oxane-2-carboxylic acid

ChEBI Name 6-(aminomethyl)-3,4,5-trihydroxy-2-[(E)-3-hydroxy-2-[(2-hydroxy-12-methyltridecanoyl)amino]-18-methylnonadec-4-enoxy]oxane-2-carboxylic acid ChEBI ID CHEBI:208084 Stars This entity has been manually annotated by a third party. Submitter MetaboLights Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C41H78N2O10 Net Charge 0 Average Mass 759.079 Monoisotopic Mass 758.56565 InChI InChI=1S/C41H78N2O10/c1-30(2)24-20-16-12-9-7-5-6-8-10-14-18-22-26-33(44)32(29-52-41(40(50)51)38(48)37(47)36(46)35(28-42)53-41)43-39(49)34(45)27-23-19-15-11-13-17-21-25-31(3)4/h22,26,30-38,44-48H,5-21,23-25,27-29,42H2,1-4H3,(H,43,49)(H,50,51)/b26-22+ InChIKey PGINFKGCXKZCMJ-XTCLZLMSSA-N SMILES O=C(O)C1(OC(C(O)C(C1O)O)CN)OCC(NC(=O)C(O)CCCCCCCCCC(C)C)C(O)/C=C/CCCCCCCCCCCCC(C)C Metabolite of Species Details Arcicella (NCBI:txid217140) See: DOI Roles Classification Chemical Role(s): Bronsted base A molecular entity capable of accepting a hydron from a donor (Bronsted acid). (via organic amino compound ) Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Bronsted base). (via oxoacid ) View more via ChEBI Ontology ChEBI Ontology Outgoing 6-(aminomethyl)-3,4,5-trihydroxy-2-[(E)-3-hydroxy-2-[(2-hydroxy-12-methyltridecanoyl)amino]-18-methylnonadec-4-enoxy]oxane-2-carboxylic acid (CHEBI:208084) is a amino acid (CHEBI:33709) 6-(aminomethyl)-3,4,5-trihydroxy-2-[(E)-3-hydroxy-2-[(2-hydroxy-12-methyltridecanoyl)amino]-18-methylnonadec-4-enoxy]oxane-2-carboxylic acid (CHEBI:208084) is a oxacycle (CHEBI:38104) IUPAC Name 6-(aminomethyl)-3,4,5-trihydroxy-2-[(E)-3-hydroxy-2-[(2-hydroxy-12-methyltridecanoyl)amino]-18-methylnonadec-4-enoxy]oxane-2-carboxylic acid Manual Xref Database 78443685 ChemSpider View more database links