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CHEBI:183980 - 1-octadecyl lysophosphatidic acid

ChEBI IDCHEBI:183980
ChEBI Name1-octadecyl lysophosphatidic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC28H44O2
Net Charge0
Average Mass412.658
Monoisotopic Mass412.33413
SMILES[H][C@@]12CC[C@]([H])([C@H](C)C=C[C@H](C)C(C)C)[C@@]1(C)CCC/C2=C/C=C1\C[C@@H](O)C[C@H](O)C1=C
InChIInChI=1S/C28H44O2/c1-18(2)19(3)9-10-20(4)25-13-14-26-22(8-7-15-28(25,26)6)11-12-23-16-24(29)17-27(30)21(23)5/h9-12,18-20,24-27,29-30H,5,7-8,13-17H2,1-4,6H3/b10-9?,22-11-,23-12+/t19-,20+,24+,25+,26-,27-,28+/m0/s1
InChIKeyHKXBNHCUPKIYDM-QCCGQJRCSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) small intestine (BTO:0000651) MetaboLights (MTBLS3486) Strain: C57BL/6 Mouse [THESAURUS.OWL#C14424]
Nippostrongylus brasiliensis (ncbitaxon:27835) Whole Organism (NCIT:C13413) MetaboLights (MTBLS3486)
marine plankton environmental sample (ncbitaxon:632957) endometabolome MetaboLights (MTBLS3038)
Apis mellifera (ncbitaxon:7460) ovary (BTO:0000975) MetaboLights (MTBLS7576)
ChEBI Ontology
Outgoing Relation(s)
1-octadecyl lysophosphatidic acid (CHEBI:183980) is a ether lipid (CHEBI:64611)
1-octadecyl lysophosphatidic acid (CHEBI:183980) is a glycerophospholipid (CHEBI:37739)
IUPAC Name 
(2-hydroxy-3-octadecoxypropyl) dihydrogen phosphate
Manual XrefsDatabases
HMDB0011144HMDB
16017852ChemSpider