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CHEBI:230433 - LysoPI(20:4(5Z,8Z,11Z,14Z)/0:0)

ChEBI IDCHEBI:230433
ChEBI NameLysoPI(20:4(5Z,8Z,11Z,14Z)/0:0)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC29H49O12P
Net Charge0
Average Mass620.673
Monoisotopic Mass620.29616
SMILESCCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)OC[C@@H](O)COP(=O)(O)OC1[C@H](O)[C@H](O)C(O)[C@H](O)[C@H]1O
InChIInChI=1S/C29H49O12P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23(31)39-20-22(30)21-40-42(37,38)41-29-27(35)25(33)24(32)26(34)28(29)36/h6-7,9-10,12-13,15-16,22,24-30,32-36H,2-5,8,11,14,17-21H2,1H3,(H,37,38)/b7-6-,10-9-,13-12-,16-15-/t22-,24?,25-,26+,27-,28-,29?/m1/s1
InChIKeyLXUGKKVCSTYZFK-VUSDMFPISA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS9100)
ChEBI Ontology
Outgoing Relation(s)
LysoPI(20:4(5Z,8Z,11Z,14Z)/0:0) (CHEBI:230433) is a 1-acylglycerophosphoinositol (CHEBI:16617)
IUPAC Name 
[(2R)-2-hydroxy-3-[hydroxy-[(2R,3S,5R,6R)-2,3,4,5,6-pentahydroxycyclohexyl]oxyphosphoryl]oxypropyl] (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate
Manual XrefsDatabases
59664395ChemSpider