EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:186875 - PI(19:0/0:0)

ChEBI IDCHEBI:186875
ChEBI NamePI(19:0/0:0)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC28H55O12P
Net Charge0
Average Mass614.710
Monoisotopic Mass614.34311
SMILESCCCCCCCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(=O)(O)OC1C(O)C(O)C(O)[C@@H](O)C1O
InChIInChI=1S/C28H55O12P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22(30)38-19-21(29)20-39-41(36,37)40-28-26(34)24(32)23(31)25(33)27(28)35/h21,23-29,31-35H,2-20H2,1H3,(H,36,37)/t21-,23?,24-,25?,26?,27?,28?/m1/s1
InChIKeyDKQHHQKSUPFNHU-DZCKOSOVSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
ChEBI Ontology
Outgoing Relation(s)
PI(19:0/0:0) (CHEBI:186875) is a 1-acylglycerophosphoinositol (CHEBI:16617)
IUPAC Name 
[(2R)-2-hydroxy-3-[hydroxy-[(5R)-2,3,4,5,6-pentahydroxycyclohexyl]oxyphosphoryl]oxypropyl] nonadecanoate
Manual XrefsDatabases
LMGP06050027LIPID MAPS