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CHEBI:189295 - 2-carboxy-2-amino-3-O-(13'-methyltetradecanoyl)-4-hydroxy-17-methyloctadec-5-ene-1-sulfonic acid

ChEBI IDCHEBI:189295
ChEBI Name2-carboxy-2-amino-3-O-(13'-methyltetradecanoyl)-4-hydroxy-17-methyloctadec-5-ene-1-sulfonic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC35H67NO8S
Net Charge0
Average Mass661.987
Monoisotopic Mass661.45874
SMILESCC(C)CCCCCCCCCC/C=C\C(O)C(OC(=O)CCCCCCCCCCCC(C)C)C(N)(CS(=O)(=O)O)C(=O)O
InChIInChI=1S/C35H67NO8S/c1-29(2)24-20-16-12-8-5-6-10-14-18-22-26-31(37)33(35(36,34(39)40)28-45(41,42)43)44-32(38)27-23-19-15-11-7-9-13-17-21-25-30(3)4/h22,26,29-31,33,37H,5-21,23-25,27-28,36H2,1-4H3,(H,39,40)(H,41,42,43)/b26-22-
InChIKeyKFJDYCWHNVAADT-ROMGYVFFSA-N
Species of MetaboliteComponentSourceComments
Arabidopsis thaliana (ncbitaxon:3702) leaf (BTO:0000713) MetaboLights (MTBLS3997)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
2-carboxy-2-amino-3-O-(13'-methyltetradecanoyl)-4-hydroxy-17-methyloctadec-5-ene-1-sulfonic acid (CHEBI:189295) is a long-chain fatty acid (CHEBI:15904)
IUPAC Name 
(Z)-2-amino-4-hydroxy-17-methyl-3-(13-methyltetradecanoyloxy)-2-(sulomethyl)octadec-5-enoic acid
Manual XrefsDatabases
24823231ChemSpider
LMSP01080042LIPID MAPS