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CHEBI:184620 - PS-PI

ChEBI IDCHEBI:184620
ChEBI NamePS-PI
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC30H55O14P
Net Charge0
Average Mass670.730
Monoisotopic Mass670.33294
SMILESCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)O[C@H]1C(C)C(O)C(O)[C@@H](O)C1O)OC(=O)CCC(=O)O
InChIInChI=1S/C30H55O14P/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-24(33)41-19-22(43-25(34)18-17-23(31)32)20-42-45(39,40)44-30-21(2)26(35)27(36)28(37)29(30)38/h21-22,26-30,35-38H,3-20H2,1-2H3,(H,31,32)(H,39,40)/t21?,22-,26?,27?,28-,29?,30+/m1/s1
InChIKeyKFHHITRMMMWMJW-WUTZMLAESA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
ChEBI Ontology
Outgoing Relation(s)
PS-PI (CHEBI:184620) is a glycerophospholipid (CHEBI:37739)
IUPAC Name 
4-[(2R)-1-hexadecanoyloxy-3-[hydroxy-[(1S,3R)-2,3,4,5-tetrahydroxy-6-methylcyclohexyl]oxyphosphoryl]oxypropan-2-yl]oxy-4-oxobutanoic acid
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LMGP20050017LIPID MAPS