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CHEBI:183862 - 1-octadecanoyl-sn-glycero-3-phospho-(1'-myo-inositol)

Default Structure
ChEBI IDCHEBI:183862
ChEBI Name1-octadecanoyl-sn-glycero-3-phospho-(1'-myo-inositol)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC27H53O12P
Net Charge0
Average Mass600.683
Monoisotopic Mass600.32746
SMILESCCCCCCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(=O)(O)OC1C(O)C(O)C(O)[C@@H](O)C1O
InChIInChI=1S/C27H53O12P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(29)37-18-20(28)19-38-40(35,36)39-27-25(33)23(31)22(30)24(32)26(27)34/h20,22-28,30-34H,2-19H2,1H3,(H,35,36)/t20-,22?,23-,24?,25?,26?,27?/m1/s1
InChIKeyMXAFDFDAIFZFET-DRPMWXDOSA-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)
ChEBI Ontology
Outgoing Relation(s)
1-octadecanoyl-sn-glycero-3-phospho-(1'-myo-inositol) (CHEBI:183862) is a 1-acylglycerophosphoinositol (CHEBI:16617)
IUPAC Name 
[(2R)-2-hydroxy-3-[hydroxy-[(5R)-2,3,4,5,6-pentahydroxycyclohexyl]oxyphosphoryl]oxypropyl] octadecanoate
Manual XrefsDatabases
LMGP06050004LIPID MAPS