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CHEBI:186048 - PI(22:2(13Z,16Z)/0:0)

ChEBI IDCHEBI:186048
ChEBI NamePI(22:2(13Z,16Z)/0:0)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC31H57O12P
Net Charge0
Average Mass652.759
Monoisotopic Mass652.35876
SMILESCCCCC/C=C\C/C=C\CCCCCCCCCCCC(=O)OC[C@@H](O)COP(=O)(O)OC1C(O)C(O)C(O)[C@@H](O)C1O
InChIInChI=1S/C31H57O12P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25(33)41-22-24(32)23-42-44(39,40)43-31-29(37)27(35)26(34)28(36)30(31)38/h6-7,9-10,24,26-32,34-38H,2-5,8,11-23H2,1H3,(H,39,40)/b7-6-,10-9-/t24-,26?,27-,28?,29?,30?,31?/m1/s1
InChIKeyXZNBERHATFTSDO-LQIUVWSTSA-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(22:2(13Z,16Z)/0:0) (CHEBI:186048) is a 1-acylglycerophosphoinositol (CHEBI:16617)
IUPAC Name 
[(2R)-2-hydroxy-3-[hydroxy-[(5R)-2,3,4,5,6-pentahydroxycyclohexyl]oxyphosphoryl]oxypropyl] (13Z,16Z)-docosa-13,16-dienoate
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