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CHEBI:186194 - PKOHA-PI

ChEBI IDCHEBI:186194
ChEBI NamePKOHA-PI
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC32H55O15P
Net Charge0
Average Mass710.751
Monoisotopic Mass710.32786
SMILESCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OC1C(O)C(O)C(O)[C@@H](O)C1O)OC(=O)CCC(=O)/C=C/C=O
InChIInChI=1S/C32H55O15P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-25(35)44-21-24(46-26(36)19-18-23(34)16-15-20-33)22-45-48(42,43)47-32-30(40)28(38)27(37)29(39)31(32)41/h15-16,20,24,27-32,37-41H,2-14,17-19,21-22H2,1H3,(H,42,43)/b16-15+/t24-,27?,28-,29?,30?,31?,32?/m1/s1
InChIKeyFZKZEOQHTJPIQC-TXQCPZMFSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
ChEBI Ontology
Outgoing Relation(s)
PKOHA-PI (CHEBI:186194) is a phosphatidylinositol (CHEBI:28874)
IUPAC Name 
[(2R)-2-[(E)-4,7-dioxohept-5-enoyl]oxy-3-[hydroxy-[(5R)-2,3,4,5,6-pentahydroxycyclohexyl]oxyphosphoryl]oxypropyl] hexadecanoate
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LMGP20050010LIPID MAPS