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CHEBI:184911 - PG-PI

ChEBI IDCHEBI:184911
ChEBI NamePG-PI
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC31H57O14P
Net Charge0
Average Mass684.757
Monoisotopic Mass684.34859
SMILESCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)O[C@H]1C(C)C(O)C(O)[C@@H](O)C1O)OC(=O)CCCC(=O)O
InChIInChI=1S/C31H57O14P/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-18-25(34)42-20-23(44-26(35)19-16-17-24(32)33)21-43-46(40,41)45-31-22(2)27(36)28(37)29(38)30(31)39/h22-23,27-31,36-39H,3-21H2,1-2H3,(H,32,33)(H,40,41)/t22?,23-,27?,28?,29-,30?,31+/m1/s1
InChIKeyPGGOQBUOKMYZBC-FJPQNQCKSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
ChEBI Ontology
Outgoing Relation(s)
PG-PI (CHEBI:184911) is a glycerophospholipid (CHEBI:37739)
IUPAC Name 
5-[(2R)-1-hexadecanoyloxy-3-[hydroxy-[(1S,3R)-2,3,4,5-tetrahydroxy-6-methylcyclohexyl]oxyphosphoryl]oxypropan-2-yl]oxy-5-oxopentanoic acid
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LMGP20050015LIPID MAPS