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CHEBI:191370 - 18:0-18:3-PI

ChEBI IDCHEBI:191370
ChEBI Name18:0-18:3-PI
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC45H80O13P
Net Charge-1
Average Mass860.096
Monoisotopic Mass859.53420
SMILESCC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCCCC)COP(=O)([O-])OC1[C@H](O)[C@H](O)C(O)[C@H](O)[C@H]1O
InChIInChI=1S/C45H81O13P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(46)55-35-37(36-56-59(53,54)58-45-43(51)41(49)40(48)42(50)44(45)52)57-39(47)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h6,8,12,14,18,20,37,40-45,48-52H,3-5,7,9-11,13,15-17,19,21-36H2,1-2H3,(H,53,54)/p-1/b8-6-,14-12-,20-18-/t37-,40?,41-,42+,43-,44-,45?/m1/s1
InChIKeyULRXGRJFRFBBDW-SMVAFKSVSA-M
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) hTERT-RPE1 cell (BTO:0004790) MetaboLights (MTBLS682)
ChEBI Ontology
Outgoing Relation(s)
18:0-18:3-PI (CHEBI:191370) is a phosphatidylinositol (CHEBI:28874)
IUPAC Name 
[(2R)-3-octadecanoyloxy-2-[(9Z,12Z,15Z)-octadeca-9,12,15-trienoyl]oxypropyl] [(2R,3S,5R,6R)-2,3,4,5,6-pentahydroxycyclohexyl] phosphate