RefMet Compound Details

RefMet ID, RefMet name, exact mass and formula
RefMet ID	RM0133446
RefMet name	LPI 17:1(10Z)/0:0
Synonyms	PubChem Synonyms
Sum Composition	LPI 17:1	View other entries in RefMet with this sum composition
Exact mass	598.2754 (neutral)	Calculate m/z: (Choose adduct) [M+H]+ [M+H-H2O]+ [M.]+ [M+2H]2+ [M+3H]3+ [M+4H]4+ [M+K]+ [M+2K]2+ [M+2K-H]+ [M+Na]+ [M+2Na]2+ [M+2Na-H]+ [M+Li]+ [M+2Li]2+ [M+NH4]+ [M.CH3]+ [M+Ag]+ [M+H+CH3OH]+ [M+H+CH3CN]+ [M+H+2CH3CN]+ [M+Na+CH3CN]+ [M.NaFormate+H]+ [M.NH4Formate+H]+ [M.TMSi]+ [M.tBuDMSi]+ [M+H-Hexose]+ [M+H-EtnP]+ [M+H-SerP]+ [M-H]- [M-H-H2O]- [M-CH3]- [M-2H]2- [M-3H]3- [M-4H]4- [M+Cl]- [M+OAc]- [M+Na-2H]- [M+K-2H]- [M.Formate]- [M.NaFormate-H]- [M.NH4Formate-H]- [M.F]- [M-H-Ser]- [M.HF2]- M(neutral)    View other RefMet entries with this exact (neutral) mass:   +/- 0.05 amu   +/- 0.1 amu   +/- 0.2 amu   +/- 0.5 amu
Formula	C26H47O13P	View other entries in RefMet with this formula
Molecular descriptors
Molfile	19970 (Download molfile/View MW Metabolite Database details)
InChI	InChI=1S/C26H49O12P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20(28)36-17-19(27)18-37-39(34,35)38-26-24(32)22(30)21(29)23(31)25(26)3 3/h7-8,19,21-27,29-33H,2-6,9-18H2,1H3,(H,34,35)/b8-7-/t19-,21-,22-,23+,24-,25-,26-/m1/s1
InChIKey	IJYZXEQPMZTSQX-GFLOHTBCSA-N	View other enantiomers/diastereomers of this metabolite in RefMet
SMILES	CCCCCC/C=CCCCCCCCCC(=O)OC[C@H](COP(=O)(O)O[C@@H]1C([C@@H](C(C(C1O)O)O)O)O)O Run Tanimoto similarity search (with similarity coefficient >=0.6)
Chemical/Biochemical Classification
Super Class	Glycerophospholipids
Main Class	Glycerophosphoinositols
Sub Class	LPI (Lysophosphatidylinositols)
Distribution of LPI 17:1(10Z)/0:0 in NMDR studies
Species	Plot Species distribution
Sample source	Plot Sample source(tissue) distribution
Platform	Platform (MS/NMR) used for detection
Chromatography	Chromatography methods used for detection
Studies	NMDR Studies reporting LPI 17:1(10Z)/0:0
External Links
Pubchem CID	42607494
LIPID MAPS	LMGP06050003
ChEBI ID	75347
KEGG ID	C03819
Structural annotation level
Annotation level	1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)

Table of KEGG reactions in human pathways involving LPI 17:1(10Z)/0:0

Rxn ID	KEGG Reaction	Enzyme
R09034	Acyl-CoA + 1-Acylglycerophosphoinositol <=> CoA + 1-Phosphatidyl-D-myo-inositol	acyl-CoA:1-acyl-sn-glycero-3-phosphoinositol O-acyltransferase

Table of KEGG human pathways containing LPI 17:1(10Z)/0:0

Pathway ID	Human Pathway	# of reactions
hsa00564	Glycerophospholipid metabolism	1