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

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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 [(1S)-1-carboxy-3-[(2S)-2-hydroxy-3-[(E)-2,2,4-trimethyl-3-oxohexadec-4-enoyl]oxypropoxy]propyl]-trimethylazanium
ChEBI ID CHEBI:204172
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C29H54NO7
Net Charge +1
Average Mass 528.750
Monoisotopic Mass 528.38948
InChI InChI=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
InChIKey NXAYEJXOTSDSHG-ODINOTFKSA-O
SMILES O=C(OC[C@@H](O)COCC[C@H]([N+](C)(C)C)C(=O)O)C(C(=O)/C(=C/CCCCCCCCCCC)/C)(C)C
Metabolite of Species Details
Heterospora chenopodii (NCBI:txid565428) See: PubMed
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 [(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 Xref Database
78443793 ChemSpider
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