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CHEBI:187233 - N-(15-methyl-3-(12-methyl-tridecanoyloxy)-hexadecanoyl)-glycine

ChEBI IDCHEBI:187233
ChEBI NameN-(15-methyl-3-(12-methyl-tridecanoyloxy)-hexadecanoyl)-glycine
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC33H65NO4
Net Charge0
Average Mass539.886
Monoisotopic Mass539.49136
SMILESCC(C)CCCCCCCCCCCO[C@H](CCCCCCCCCCCC(C)C)CC(=O)NCC(=O)O
InChIInChI=1S/C33H65NO4/c1-29(2)23-19-15-11-7-5-9-13-17-21-25-31(27-32(35)34-28-33(36)37)38-26-22-18-14-10-6-8-12-16-20-24-30(3)4/h29-31H,5-28H2,1-4H3,(H,34,35)(H,36,37)/t31-/m1/s1
InChIKeyPRINJPAYVNUVQA-WJOKGBTCSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
N-(15-methyl-3-(12-methyl-tridecanoyloxy)-hexadecanoyl)-glycine (CHEBI:187233) is a N-acyl-amino acid (CHEBI:51569)
IUPAC Name 
2-[[(3R)-15-methyl-3-(12-methyltridecoxy)hexadecanoyl]amino]acetic acid
Manual XrefsDatabases
113371142ChemSpider
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