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CHEBI:204172 - [(1S)-1-carboxy-3-[(2S)-2-hydroxy-3-[(E)-2,2,4-trimethyl-3-oxohexadec-4-enoyl]oxypropoxy]propyl]-trimethylazanium

ChEBI IDCHEBI:204172
ChEBI Name[(1S)-1-carboxy-3-[(2S)-2-hydroxy-3-[(E)-2,2,4-trimethyl-3-oxohexadec-4-enoyl]oxypropoxy]propyl]-trimethylazanium
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC29H54NO7
Net Charge+1
Average Mass528.751
Monoisotopic Mass528.38948
SMILESCCCCCCCCCCC/C=C(\C)C(=O)C(C)(C)C(=O)OC[C@@H](O)COCC[C@@H](C(=O)O)[N+](C)(C)C
InChIInChI=1S/C29H53NO7/c1-8-9-10-11-12-13-14-15-16-17-18-23(2)26(32)29(3,4)28(35)37-22-24(31)21-36-20-19-25(27(33)34)30(5,6)7/h18,24-25,31H,8-17,19-22H2,1-7H3/p+1/b23-18+/t24-,25-/m0/s1
InChIKeyNXAYEJXOTSDSHG-ODINOTFKSA-O
Species of MetaboliteComponentSourceComments
Heterospora chenopodii (ncbitaxon:565428) - PubMed (25215605)
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)
[(1S)-1-carboxy-3-[(2S)-2-hydroxy-3-[(E)-2,2,4-trimethyl-3-oxohexadec-4-enoyl]oxypropoxy]propyl]-trimethylazanium (CHEBI:204172) is a L-α-amino acid (CHEBI:15705)
IUPAC Name 
[(1S)-1-carboxy-3-[(2S)-2-hydroxy-3-[(E)-2,2,4-trimethyl-3-oxohexadec-4-enoyl]oxypropoxy]propyl]-trimethylazanium
Manual XrefsDatabases
78443793ChemSpider