RefMet Compound Details

RefMet ID, RefMet name, exact mass and formula
RefMet ID	RM0160793
RefMet name	GM3 18:1;O2/26:0
Alternative name	GM3(d18:1/26:0)
Systematic name	NeuAcalpha2-3Galbeta1-4Glcbeta-Cer(d18:1/26:0)
Synonyms	PubChem Synonyms
Sum Composition	GM3 44:1;O2	View other entries in RefMet with this sum composition
Exact mass	1292.869665 (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	C67H124N2O21	View other entries in RefMet with this formula
Molecular descriptors
Molfile	33068 (Download molfile/View MW Metabolite Database details)
InChI	InChI=1S/C67H126N2O21/c1-4-6-8-10-12-14-16-18-19-20-21-22-23-24-25-26-27-29-31-33-35-37-39-41-54(77)69-48(49(74)40-38-36-34-32-30- 28-17-15-13-11-9-7-5-2)46-85-64-59(81)58(80)61(53(45-72)87-64)88-65-60(82)63(57(79)52(44-71)86-65)90-67(66(83)84)42-50(75)55(68-47 (3)73)62(89-67)56(78)51(76)43-70/h48-53,55-65,70-72,74-76,78-82H,4-46H2,1-3H3,(H,68,73)(H,69,77)(H,83,84)/t48-,49+,50-,51+,52+,53+ ,55+,56+,57-,58+,59+,60+,61+,62+,63-,64+,65-,67-/m0/s1
InChIKey	MEMLDEFJYMOSCW-WGAJGAJXSA-N	View other enantiomers/diastereomers of this metabolite in RefMet
SMILES	CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@H]1C([C@H]([C@@H](C(CO)O1)O[C@H]1C([C@H]([C@H](C(CO)O1)O)O[C@@]1(CC([C@H](C([C@@H]([C@@H](CO)O)O)O1)NC(=O)C)O)C(=O)O)O)O)O)[C@@H](/C=C/CCCCCCCCCCCCC)O Run Tanimoto similarity search (with similarity coefficient >=0.6)
Chemical/Biochemical Classification
Super Class	Sphingolipids
Main Class	Glycosphingolipids
Sub Class	Gangliosides
Distribution of GM3 18:1;O2/26:0 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 GM3 18:1;O2/26:0
External Links
Pubchem CID	44262041
LIPID MAPS	LMSP0601AJ06
HMDB ID	HMDB0004850
Structural annotation level
Annotation level	1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)