EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:186448 - LPIM1(16:0/0:0)

ChEBI IDCHEBI:186448
ChEBI NameLPIM1(16:0/0:0)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC31H59O17P
Net Charge0
Average Mass734.770
Monoisotopic Mass734.34899
SMILESCCCCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(=O)(O)O[C@@H]1C(O)C(O)[C@@H](O)C(O)[C@H]1O[C@H]1OC(CO)[C@@H](O)C(O)[C@H]1O
InChIInChI=1S/C31H59O17P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-21(34)44-17-19(33)18-45-49(42,43)48-30-27(40)25(38)24(37)26(39)29(30)47-31-28(41)23(36)22(35)20(16-32)46-31/h19-20,22-33,35-41H,2-18H2,1H3,(H,42,43)/t19-,20?,22-,23?,24-,25?,26?,27?,28-,29-,30-,31-/m1/s1
InChIKeyAEVWOKSHDQIAIR-UZFWQDOCSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
ChEBI Ontology
Outgoing Relation(s)
LPIM1(16:0/0:0) (CHEBI:186448) is a 1-acylglycerophosphoinositol (CHEBI:16617)
IUPAC Name 
[(2R)-2-hydroxy-3-[hydroxy-[(1R,4R,6R)-2,3,4,5-tetrahydroxy-6-[(2R,3R,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycyclohexyl]oxyphosphoryl]oxypropyl] hexadecanoate
Manual XrefsDatabases
LMGP15040001LIPID MAPS