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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 IDCHEBI:208084
ChEBI Name6-(aminomethyl)-3,4,5-trihydroxy-2-[(E)-3-hydroxy-2-[(2-hydroxy-12-methyltridecanoyl)amino]-18-methylnonadec-4-enoxy]oxane-2-carboxylic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC41H78N2O10
Net Charge0
Average Mass759.079
Monoisotopic Mass758.56565
SMILESCC(C)CCCCCCCCCCCC/C=C/C(O)C(COC1(C(=O)O)OC(CN)C(O)C(O)C1O)NC(=O)C(O)CCCCCCCCCC(C)C
InChIInChI=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+
InChIKeyPGINFKGCXKZCMJ-XTCLZLMSSA-N
Species of MetaboliteComponentSourceComments
Arcicella (ncbitaxon:217140) - DOI (10.1016/s1388-1981(99)00119-5)
Roles Classification
Chemical Roles:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
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
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