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CHEBI:187749 - OHDdiA-PI

ChEBI IDCHEBI:187749
ChEBI NameOHDdiA-PI
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC39H69O16P
Net Charge0
Average Mass824.939
Monoisotopic Mass824.43232
SMILESCCCCCCCC/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)(O)OC1C(O)C(O)C(O)[C@@H](O)C1O)OC(=O)CCCCCCCC(O)/C=C/C(=O)O
InChIInChI=1S/C39H69O16P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-20-23-32(43)52-27-30(54-33(44)24-21-18-15-16-19-22-29(40)25-26-31(41)42)28-53-56(50,51)55-39-37(48)35(46)34(45)36(47)38(39)49/h9-10,25-26,29-30,34-40,45-49H,2-8,11-24,27-28H2,1H3,(H,41,42)(H,50,51)/b10-9-,26-25+/t29?,30-,34?,35-,36?,37?,38?,39?/m1/s1
InChIKeyVXYKEFQDLPPXOJ-ILYWIYQCSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
ChEBI Ontology
Outgoing Relation(s)
OHDdiA-PI (CHEBI:187749) is a phosphatidylinositol (CHEBI:28874)
IUPAC Name 
(E)-4-hydroxy-12-[(2R)-1-[hydroxy-[(5R)-2,3,4,5,6-pentahydroxycyclohexyl]oxyphosphoryl]oxy-3-[(Z)-octadec-9-enoyl]oxypropan-2-yl]oxy-12-oxododec-2-enoic acid
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LMGP20050036LIPID MAPS