RefMet Compound Details

RefMet ID, RefMet name, exact mass and formula
RefMet ID	RM0033486
RefMet name	CerP 17:1;O2/13:0
Alternative name	CerP(d17:1/13:0)
Systematic name	N-(tridecanoyl)-4E-heptadecasphingenine-1-phosphate
Synonyms	PubChem Synonyms
Sum Composition	CerP 30:1;O2	View other entries in RefMet with this sum composition
Exact mass	561.415827 (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	C30H60NO6P	View other entries in RefMet with this formula
Molecular descriptors
Molfile	88198 (Download molfile/View MW Metabolite Database details)
InChI	InChI=1S/C30H60NO6P/c1-3-5-7-9-11-13-15-16-17-19-21-23-25-29(32)28(27-37-38(34,35)36)31-30(33)26-24-22-20-18-14-12-10-8-6-4-2/h23, 25,28-29,32H,3-22,24,26-27H2,1-2H3,(H,31,33)(H2,34,35,36)/b25-23+/t28-,29+/m0/s1
InChIKey	LUIBGIFJZXFCNF-VARSQMIESA-N	View other enantiomers/diastereomers of this metabolite in RefMet
SMILES	CCCCCCCCCCCC/C=C/[C@H]([C@H](COP(=O)(O)O)NC(=O)CCCCCCCCCCCC)O Run Tanimoto similarity search (with similarity coefficient >=0.6)
Chemical/Biochemical Classification
Super Class	Sphingolipids
Main Class	Ceramides
Sub Class	Cer-1-P (Ceramide-1-phosphates)
Distribution of CerP 17:1;O2/13:0 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 CerP 17:1;O2/13:0
External Links
Pubchem CID	145715287
LIPID MAPS	LMSP02059BKP
KEGG ID	C02960
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 CerP 17:1;O2/13:0

Rxn ID	KEGG Reaction	Enzyme
R01495	ATP + N-Acylsphingosine <=> ADP + Ceramide 1-phosphate	ATP:ceramide 1-phosphotransferase
R06522	Ceramide 1-phosphate + H2O <=> N-Acylsphingosine + Orthophosphate	3-sn-phosphatidate phosphohydrolase

Table of KEGG human pathways containing CerP 17:1;O2/13:0

Pathway ID	Human Pathway	# of reactions
hsa00600	Sphingolipid metabolism	2