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Record Information
Version5.0
StatusDetected and Quantified
Creation Date2013-05-06 17:38:01 UTC
Update Date2021-09-14 15:29:55 UTC
HMDB IDHMDB0060061
Secondary Accession Numbers
  • HMDB60061
Metabolite Identification
Common NameSphingosine 1-phosphate (d16:1-P)
DescriptionSphingosine 1-phosphate (d16:1-P), also known as C16 sphingosine-1-phosphate, belongs to the class of organic compounds known as phosphoethanolamines. Phosphoethanolamines are compounds containing a phosphate linked to the second carbon of an ethanolamine. Sphingolipids at large form a class of lipids characterized by a particular aliphatic aminoalcohol, which is sphingosine. Sphingosine 1-phosphate (d16:1-P) is a very hydrophobic molecule, practically insoluble (in water), and relatively neutral. Sphingosine-1-phosphate is a signaling sphingolipid. Sphingosine 1-phosphate (d16:1-P) is a Sphingosine-1-phosphate. It is also referred to as a bioactive lipid mediator.
Structure
Data?1563866011
Synonyms
ValueSource
C16 Sphingosine-1-phosphateChEBI
C16 Sphingosine-1-phosphoric acidGenerator
Sphingosine 1-phosphoric acid (D16:1-p)Generator
Chemical FormulaC16H34NO5P
Average Molecular Weight351.4186
Monoisotopic Molecular Weight351.217459715
IUPAC Name{[(2S,3R,4E)-2-amino-3-hydroxyhexadec-4-en-1-yl]oxy}phosphonic acid
Traditional Name[(2S,3R,4E)-2-amino-3-hydroxyhexadec-4-en-1-yl]oxyphosphonic acid
CAS Registry NumberNot Available
SMILES
[H][C@](N)(COP(O)(O)=O)[C@]([H])(O)\C=C\CCCCCCCCCCC
InChI Identifier
InChI=1S/C16H34NO5P/c1-2-3-4-5-6-7-8-9-10-11-12-13-16(18)15(17)14-22-23(19,20)21/h12-13,15-16,18H,2-11,14,17H2,1H3,(H2,19,20,21)/b13-12+/t15-,16+/m0/s1
InChI KeyIQHNJQKWEMCXAD-YYZTVXDQSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as phosphoethanolamines. Phosphoethanolamines are compounds containing a phosphate linked to the second carbon of an ethanolamine.
KingdomOrganic compounds
Super ClassOrganic acids and derivatives
ClassOrganic phosphoric acids and derivatives
Sub ClassPhosphate esters
Direct ParentPhosphoethanolamines
Alternative Parents
Substituents
  • Phosphoethanolamine
  • Monoalkyl phosphate
  • Alkyl phosphate
  • Secondary alcohol
  • Alcohol
  • Hydrocarbon derivative
  • Organic oxide
  • Organopnictogen compound
  • Organic oxygen compound
  • Primary amine
  • Organic nitrogen compound
  • Organooxygen compound
  • Organonitrogen compound
  • Primary aliphatic amine
  • Amine
  • Aliphatic acyclic compound
Molecular FrameworkAliphatic acyclic compounds
External Descriptors
Ontology
Disposition

Biological location

Physical Properties
StateNot Available
Experimental Molecular Properties
PropertyValueReference
Melting PointNot AvailableNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogPNot AvailableNot Available
Experimental Chromatographic PropertiesNot Available
Predicted Molecular Properties
PropertyValueSource
Water Solubility0.028 g/LALOGPS
logP2.95ALOGPS
logP2.54ChemAxon
logS-4.1ALOGPS
pKa (Strongest Acidic)1.51ChemAxon
pKa (Strongest Basic)9.7ChemAxon
Physiological Charge-1ChemAxon
Hydrogen Acceptor Count5ChemAxon
Hydrogen Donor Count4ChemAxon
Polar Surface Area113.01 ŲChemAxon
Rotatable Bond Count15ChemAxon
Refractivity93.56 m³·mol⁻¹ChemAxon
Polarizability39.45 ųChemAxon
Number of Rings0ChemAxon
BioavailabilityYesChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Predicted Chromatographic Properties

Predicted Collision Cross Sections

PredictorAdduct TypeCCS Value (Å2)Reference
DarkChem[M+H]+190.33231661259
DarkChem[M-H]-190.10431661259
DeepCCS[M+H]+169.92530932474
DeepCCS[M-H]-167.52930932474
DeepCCS[M-2H]-201.32330932474
DeepCCS[M+Na]+176.00330932474

Predicted Kovats Retention Indices

Underivatized

MetaboliteSMILESKovats RI ValueColumn TypeReference
Sphingosine 1-phosphate (d16:1-P)[H][C@](N)(COP(O)(O)=O)[C@]([H])(O)\C=C\CCCCCCCCCCC3324.4Standard polar33892256
Sphingosine 1-phosphate (d16:1-P)[H][C@](N)(COP(O)(O)=O)[C@]([H])(O)\C=C\CCCCCCCCCCC2500.2Standard non polar33892256
Sphingosine 1-phosphate (d16:1-P)[H][C@](N)(COP(O)(O)=O)[C@]([H])(O)\C=C\CCCCCCCCCCC2823.4Semi standard non polar33892256

Derivatized

Derivative Name / StructureSMILESKovats RI ValueColumn TypeReference
Sphingosine 1-phosphate (d16:1-P),1TMS,isomer #1CCCCCCCCCCC/C=C/[C@@H](O[Si](C)(C)C)[C@@H](N)COP(=O)(O)O2768.5Semi standard non polar33892256
Sphingosine 1-phosphate (d16:1-P),1TMS,isomer #2CCCCCCCCCCC/C=C/[C@@H](O)[C@@H](N)COP(=O)(O)O[Si](C)(C)C2744.8Semi standard non polar33892256
Sphingosine 1-phosphate (d16:1-P),1TMS,isomer #3CCCCCCCCCCC/C=C/[C@@H](O)[C@H](COP(=O)(O)O)N[Si](C)(C)C2797.5Semi standard non polar33892256
Sphingosine 1-phosphate (d16:1-P),2TMS,isomer #1CCCCCCCCCCC/C=C/[C@@H](O[Si](C)(C)C)[C@@H](N)COP(=O)(O)O[Si](C)(C)C2790.5Semi standard non polar33892256
Sphingosine 1-phosphate (d16:1-P),2TMS,isomer #1CCCCCCCCCCC/C=C/[C@@H](O[Si](C)(C)C)[C@@H](N)COP(=O)(O)O[Si](C)(C)C2652.7Standard non polar33892256
Sphingosine 1-phosphate (d16:1-P),2TMS,isomer #1CCCCCCCCCCC/C=C/[C@@H](O[Si](C)(C)C)[C@@H](N)COP(=O)(O)O[Si](C)(C)C3846.5Standard polar33892256
Sphingosine 1-phosphate (d16:1-P),2TMS,isomer #2CCCCCCCCCCC/C=C/[C@@H](O[Si](C)(C)C)[C@H](COP(=O)(O)O)N[Si](C)(C)C2804.9Semi standard non polar33892256
Sphingosine 1-phosphate (d16:1-P),2TMS,isomer #2CCCCCCCCCCC/C=C/[C@@H](O[Si](C)(C)C)[C@H](COP(=O)(O)O)N[Si](C)(C)C2711.6Standard non polar33892256
Sphingosine 1-phosphate (d16:1-P),2TMS,isomer #2CCCCCCCCCCC/C=C/[C@@H](O[Si](C)(C)C)[C@H](COP(=O)(O)O)N[Si](C)(C)C3850.1Standard polar33892256
Sphingosine 1-phosphate (d16:1-P),2TMS,isomer #3CCCCCCCCCCC/C=C/[C@@H](O)[C@@H](N)COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C2774.6Semi standard non polar33892256
Sphingosine 1-phosphate (d16:1-P),2TMS,isomer #3CCCCCCCCCCC/C=C/[C@@H](O)[C@@H](N)COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C2735.1Standard non polar33892256
Sphingosine 1-phosphate (d16:1-P),2TMS,isomer #3CCCCCCCCCCC/C=C/[C@@H](O)[C@@H](N)COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C3738.2Standard polar33892256
Sphingosine 1-phosphate (d16:1-P),2TMS,isomer #4CCCCCCCCCCC/C=C/[C@@H](O)[C@H](COP(=O)(O)O[Si](C)(C)C)N[Si](C)(C)C2818.2Semi standard non polar33892256
Sphingosine 1-phosphate (d16:1-P),2TMS,isomer #4CCCCCCCCCCC/C=C/[C@@H](O)[C@H](COP(=O)(O)O[Si](C)(C)C)N[Si](C)(C)C2760.1Standard non polar33892256
Sphingosine 1-phosphate (d16:1-P),2TMS,isomer #4CCCCCCCCCCC/C=C/[C@@H](O)[C@H](COP(=O)(O)O[Si](C)(C)C)N[Si](C)(C)C3614.6Standard polar33892256
Sphingosine 1-phosphate (d16:1-P),2TMS,isomer #5CCCCCCCCCCC/C=C/[C@@H](O)[C@H](COP(=O)(O)O)N([Si](C)(C)C)[Si](C)(C)C2927.6Semi standard non polar33892256
Sphingosine 1-phosphate (d16:1-P),2TMS,isomer #5CCCCCCCCCCC/C=C/[C@@H](O)[C@H](COP(=O)(O)O)N([Si](C)(C)C)[Si](C)(C)C2831.1Standard non polar33892256
Sphingosine 1-phosphate (d16:1-P),2TMS,isomer #5CCCCCCCCCCC/C=C/[C@@H](O)[C@H](COP(=O)(O)O)N([Si](C)(C)C)[Si](C)(C)C4003.0Standard polar33892256
Sphingosine 1-phosphate (d16:1-P),3TMS,isomer #1CCCCCCCCCCC/C=C/[C@@H](O[Si](C)(C)C)[C@@H](N)COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C2803.9Semi standard non polar33892256
Sphingosine 1-phosphate (d16:1-P),3TMS,isomer #1CCCCCCCCCCC/C=C/[C@@H](O[Si](C)(C)C)[C@@H](N)COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C2675.2Standard non polar33892256
Sphingosine 1-phosphate (d16:1-P),3TMS,isomer #1CCCCCCCCCCC/C=C/[C@@H](O[Si](C)(C)C)[C@@H](N)COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C3474.2Standard polar33892256
Sphingosine 1-phosphate (d16:1-P),3TMS,isomer #2CCCCCCCCCCC/C=C/[C@@H](O[Si](C)(C)C)[C@H](COP(=O)(O)O[Si](C)(C)C)N[Si](C)(C)C2813.9Semi standard non polar33892256
Sphingosine 1-phosphate (d16:1-P),3TMS,isomer #2CCCCCCCCCCC/C=C/[C@@H](O[Si](C)(C)C)[C@H](COP(=O)(O)O[Si](C)(C)C)N[Si](C)(C)C2735.9Standard non polar33892256
Sphingosine 1-phosphate (d16:1-P),3TMS,isomer #2CCCCCCCCCCC/C=C/[C@@H](O[Si](C)(C)C)[C@H](COP(=O)(O)O[Si](C)(C)C)N[Si](C)(C)C3275.7Standard polar33892256
Sphingosine 1-phosphate (d16:1-P),3TMS,isomer #3CCCCCCCCCCC/C=C/[C@@H](O[Si](C)(C)C)[C@H](COP(=O)(O)O)N([Si](C)(C)C)[Si](C)(C)C2947.2Semi standard non polar33892256
Sphingosine 1-phosphate (d16:1-P),3TMS,isomer #3CCCCCCCCCCC/C=C/[C@@H](O[Si](C)(C)C)[C@H](COP(=O)(O)O)N([Si](C)(C)C)[Si](C)(C)C2817.9Standard non polar33892256
Sphingosine 1-phosphate (d16:1-P),3TMS,isomer #3CCCCCCCCCCC/C=C/[C@@H](O[Si](C)(C)C)[C@H](COP(=O)(O)O)N([Si](C)(C)C)[Si](C)(C)C3601.6Standard polar33892256
Sphingosine 1-phosphate (d16:1-P),3TMS,isomer #4CCCCCCCCCCC/C=C/[C@@H](O)[C@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)N[Si](C)(C)C2827.5Semi standard non polar33892256
Sphingosine 1-phosphate (d16:1-P),3TMS,isomer #4CCCCCCCCCCC/C=C/[C@@H](O)[C@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)N[Si](C)(C)C2821.2Standard non polar33892256
Sphingosine 1-phosphate (d16:1-P),3TMS,isomer #4CCCCCCCCCCC/C=C/[C@@H](O)[C@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)N[Si](C)(C)C3203.8Standard polar33892256
Sphingosine 1-phosphate (d16:1-P),3TMS,isomer #5CCCCCCCCCCC/C=C/[C@@H](O)[C@H](COP(=O)(O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C2935.4Semi standard non polar33892256
Sphingosine 1-phosphate (d16:1-P),3TMS,isomer #5CCCCCCCCCCC/C=C/[C@@H](O)[C@H](COP(=O)(O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C2858.3Standard non polar33892256
Sphingosine 1-phosphate (d16:1-P),3TMS,isomer #5CCCCCCCCCCC/C=C/[C@@H](O)[C@H](COP(=O)(O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C3460.6Standard polar33892256
Sphingosine 1-phosphate (d16:1-P),4TMS,isomer #1CCCCCCCCCCC/C=C/[C@@H](O[Si](C)(C)C)[C@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)N[Si](C)(C)C2852.2Semi standard non polar33892256
Sphingosine 1-phosphate (d16:1-P),4TMS,isomer #1CCCCCCCCCCC/C=C/[C@@H](O[Si](C)(C)C)[C@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)N[Si](C)(C)C2752.5Standard non polar33892256
Sphingosine 1-phosphate (d16:1-P),4TMS,isomer #1CCCCCCCCCCC/C=C/[C@@H](O[Si](C)(C)C)[C@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)N[Si](C)(C)C2877.8Standard polar33892256
Sphingosine 1-phosphate (d16:1-P),4TMS,isomer #2CCCCCCCCCCC/C=C/[C@@H](O[Si](C)(C)C)[C@H](COP(=O)(O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C2956.1Semi standard non polar33892256
Sphingosine 1-phosphate (d16:1-P),4TMS,isomer #2CCCCCCCCCCC/C=C/[C@@H](O[Si](C)(C)C)[C@H](COP(=O)(O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C2821.0Standard non polar33892256
Sphingosine 1-phosphate (d16:1-P),4TMS,isomer #2CCCCCCCCCCC/C=C/[C@@H](O[Si](C)(C)C)[C@H](COP(=O)(O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C3121.2Standard polar33892256
Sphingosine 1-phosphate (d16:1-P),4TMS,isomer #3CCCCCCCCCCC/C=C/[C@@H](O)[C@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C2950.2Semi standard non polar33892256
Sphingosine 1-phosphate (d16:1-P),4TMS,isomer #3CCCCCCCCCCC/C=C/[C@@H](O)[C@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C2899.9Standard non polar33892256
Sphingosine 1-phosphate (d16:1-P),4TMS,isomer #3CCCCCCCCCCC/C=C/[C@@H](O)[C@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C3085.8Standard polar33892256
Sphingosine 1-phosphate (d16:1-P),5TMS,isomer #1CCCCCCCCCCC/C=C/[C@@H](O[Si](C)(C)C)[C@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C2993.6Semi standard non polar33892256
Sphingosine 1-phosphate (d16:1-P),5TMS,isomer #1CCCCCCCCCCC/C=C/[C@@H](O[Si](C)(C)C)[C@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C2840.6Standard non polar33892256
Sphingosine 1-phosphate (d16:1-P),5TMS,isomer #1CCCCCCCCCCC/C=C/[C@@H](O[Si](C)(C)C)[C@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C2792.2Standard polar33892256
Sphingosine 1-phosphate (d16:1-P),1TBDMS,isomer #1CCCCCCCCCCC/C=C/[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](N)COP(=O)(O)O3016.1Semi standard non polar33892256
Sphingosine 1-phosphate (d16:1-P),1TBDMS,isomer #2CCCCCCCCCCC/C=C/[C@@H](O)[C@@H](N)COP(=O)(O)O[Si](C)(C)C(C)(C)C2954.5Semi standard non polar33892256
Sphingosine 1-phosphate (d16:1-P),1TBDMS,isomer #3CCCCCCCCCCC/C=C/[C@@H](O)[C@H](COP(=O)(O)O)N[Si](C)(C)C(C)(C)C3014.9Semi standard non polar33892256
Sphingosine 1-phosphate (d16:1-P),2TBDMS,isomer #1CCCCCCCCCCC/C=C/[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](N)COP(=O)(O)O[Si](C)(C)C(C)(C)C3218.1Semi standard non polar33892256
Sphingosine 1-phosphate (d16:1-P),2TBDMS,isomer #1CCCCCCCCCCC/C=C/[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](N)COP(=O)(O)O[Si](C)(C)C(C)(C)C2988.9Standard non polar33892256
Sphingosine 1-phosphate (d16:1-P),2TBDMS,isomer #1CCCCCCCCCCC/C=C/[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](N)COP(=O)(O)O[Si](C)(C)C(C)(C)C3903.6Standard polar33892256
Sphingosine 1-phosphate (d16:1-P),2TBDMS,isomer #2CCCCCCCCCCC/C=C/[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](COP(=O)(O)O)N[Si](C)(C)C(C)(C)C3260.0Semi standard non polar33892256
Sphingosine 1-phosphate (d16:1-P),2TBDMS,isomer #2CCCCCCCCCCC/C=C/[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](COP(=O)(O)O)N[Si](C)(C)C(C)(C)C3095.4Standard non polar33892256
Sphingosine 1-phosphate (d16:1-P),2TBDMS,isomer #2CCCCCCCCCCC/C=C/[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](COP(=O)(O)O)N[Si](C)(C)C(C)(C)C3868.1Standard polar33892256
Sphingosine 1-phosphate (d16:1-P),2TBDMS,isomer #3CCCCCCCCCCC/C=C/[C@@H](O)[C@@H](N)COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C3197.7Semi standard non polar33892256
Sphingosine 1-phosphate (d16:1-P),2TBDMS,isomer #3CCCCCCCCCCC/C=C/[C@@H](O)[C@@H](N)COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C3063.3Standard non polar33892256
Sphingosine 1-phosphate (d16:1-P),2TBDMS,isomer #3CCCCCCCCCCC/C=C/[C@@H](O)[C@@H](N)COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C3838.4Standard polar33892256
Sphingosine 1-phosphate (d16:1-P),2TBDMS,isomer #4CCCCCCCCCCC/C=C/[C@@H](O)[C@H](COP(=O)(O)O[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C3245.1Semi standard non polar33892256
Sphingosine 1-phosphate (d16:1-P),2TBDMS,isomer #4CCCCCCCCCCC/C=C/[C@@H](O)[C@H](COP(=O)(O)O[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C3122.7Standard non polar33892256
Sphingosine 1-phosphate (d16:1-P),2TBDMS,isomer #4CCCCCCCCCCC/C=C/[C@@H](O)[C@H](COP(=O)(O)O[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C3704.5Standard polar33892256
Sphingosine 1-phosphate (d16:1-P),2TBDMS,isomer #5CCCCCCCCCCC/C=C/[C@@H](O)[C@H](COP(=O)(O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3368.3Semi standard non polar33892256
Sphingosine 1-phosphate (d16:1-P),2TBDMS,isomer #5CCCCCCCCCCC/C=C/[C@@H](O)[C@H](COP(=O)(O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3219.2Standard non polar33892256
Sphingosine 1-phosphate (d16:1-P),2TBDMS,isomer #5CCCCCCCCCCC/C=C/[C@@H](O)[C@H](COP(=O)(O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3990.5Standard polar33892256
Sphingosine 1-phosphate (d16:1-P),3TBDMS,isomer #1CCCCCCCCCCC/C=C/[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](N)COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C3439.5Semi standard non polar33892256
Sphingosine 1-phosphate (d16:1-P),3TBDMS,isomer #1CCCCCCCCCCC/C=C/[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](N)COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C3101.1Standard non polar33892256
Sphingosine 1-phosphate (d16:1-P),3TBDMS,isomer #1CCCCCCCCCCC/C=C/[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](N)COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C3572.8Standard polar33892256
Sphingosine 1-phosphate (d16:1-P),3TBDMS,isomer #2CCCCCCCCCCC/C=C/[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](COP(=O)(O)O[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C3489.3Semi standard non polar33892256
Sphingosine 1-phosphate (d16:1-P),3TBDMS,isomer #2CCCCCCCCCCC/C=C/[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](COP(=O)(O)O[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C3225.3Standard non polar33892256
Sphingosine 1-phosphate (d16:1-P),3TBDMS,isomer #2CCCCCCCCCCC/C=C/[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](COP(=O)(O)O[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C3417.5Standard polar33892256
Sphingosine 1-phosphate (d16:1-P),3TBDMS,isomer #3CCCCCCCCCCC/C=C/[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](COP(=O)(O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3636.1Semi standard non polar33892256
Sphingosine 1-phosphate (d16:1-P),3TBDMS,isomer #3CCCCCCCCCCC/C=C/[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](COP(=O)(O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3309.0Standard non polar33892256
Sphingosine 1-phosphate (d16:1-P),3TBDMS,isomer #3CCCCCCCCCCC/C=C/[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](COP(=O)(O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3632.7Standard polar33892256
Sphingosine 1-phosphate (d16:1-P),3TBDMS,isomer #4CCCCCCCCCCC/C=C/[C@@H](O)[C@H](COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C3475.6Semi standard non polar33892256
Sphingosine 1-phosphate (d16:1-P),3TBDMS,isomer #4CCCCCCCCCCC/C=C/[C@@H](O)[C@H](COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C3257.5Standard non polar33892256
Sphingosine 1-phosphate (d16:1-P),3TBDMS,isomer #4CCCCCCCCCCC/C=C/[C@@H](O)[C@H](COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C3400.9Standard polar33892256
Sphingosine 1-phosphate (d16:1-P),3TBDMS,isomer #5CCCCCCCCCCC/C=C/[C@@H](O)[C@H](COP(=O)(O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3614.4Semi standard non polar33892256
Sphingosine 1-phosphate (d16:1-P),3TBDMS,isomer #5CCCCCCCCCCC/C=C/[C@@H](O)[C@H](COP(=O)(O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3336.4Standard non polar33892256
Sphingosine 1-phosphate (d16:1-P),3TBDMS,isomer #5CCCCCCCCCCC/C=C/[C@@H](O)[C@H](COP(=O)(O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3552.7Standard polar33892256
Sphingosine 1-phosphate (d16:1-P),4TBDMS,isomer #1CCCCCCCCCCC/C=C/[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C3696.0Semi standard non polar33892256
Sphingosine 1-phosphate (d16:1-P),4TBDMS,isomer #1CCCCCCCCCCC/C=C/[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C3334.8Standard non polar33892256
Sphingosine 1-phosphate (d16:1-P),4TBDMS,isomer #1CCCCCCCCCCC/C=C/[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C3189.1Standard polar33892256
Sphingosine 1-phosphate (d16:1-P),4TBDMS,isomer #2CCCCCCCCCCC/C=C/[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](COP(=O)(O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3849.3Semi standard non polar33892256
Sphingosine 1-phosphate (d16:1-P),4TBDMS,isomer #2CCCCCCCCCCC/C=C/[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](COP(=O)(O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3434.7Standard non polar33892256
Sphingosine 1-phosphate (d16:1-P),4TBDMS,isomer #2CCCCCCCCCCC/C=C/[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](COP(=O)(O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3325.3Standard polar33892256
Sphingosine 1-phosphate (d16:1-P),4TBDMS,isomer #3CCCCCCCCCCC/C=C/[C@@H](O)[C@H](COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3853.1Semi standard non polar33892256
Sphingosine 1-phosphate (d16:1-P),4TBDMS,isomer #3CCCCCCCCCCC/C=C/[C@@H](O)[C@H](COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3455.4Standard non polar33892256
Sphingosine 1-phosphate (d16:1-P),4TBDMS,isomer #3CCCCCCCCCCC/C=C/[C@@H](O)[C@H](COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3320.4Standard polar33892256
Spectra

GC-MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted GC-MSPredicted GC-MS Spectrum - Sphingosine 1-phosphate (d16:1-P) GC-MS (Non-derivatized) - 70eV, Positivesplash10-01pk-9421000000-d3bc1435f3a560dbf4032017-09-20Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Sphingosine 1-phosphate (d16:1-P) GC-MS (1 TMS) - 70eV, Positivesplash10-0005-9621000000-93c394ec528439e142542017-10-06Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Sphingosine 1-phosphate (d16:1-P) GC-MS (Non-derivatized) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum

MS/MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Sphingosine 1-phosphate (d16:1-P) 10V, Positive-QTOFsplash10-0uei-0195000000-588411bfae5e074359ee2017-10-06Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Sphingosine 1-phosphate (d16:1-P) 20V, Positive-QTOFsplash10-000i-1190000000-1d8e5dcd7730931f06f12017-10-06Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Sphingosine 1-phosphate (d16:1-P) 40V, Positive-QTOFsplash10-015c-7950000000-951d4b0411b2bc6ea3752017-10-06Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Sphingosine 1-phosphate (d16:1-P) 10V, Negative-QTOFsplash10-0ufs-8009000000-71b60be6b6970859d9482017-10-06Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Sphingosine 1-phosphate (d16:1-P) 20V, Negative-QTOFsplash10-004i-9000000000-2560cec996726cdaff152017-10-06Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Sphingosine 1-phosphate (d16:1-P) 40V, Negative-QTOFsplash10-004i-9000000000-fb4b561293ba31a6e77b2017-10-06Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Sphingosine 1-phosphate (d16:1-P) 10V, Positive-QTOFsplash10-0ue9-1059000000-172ebabe9b466baad2dd2021-10-12Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Sphingosine 1-phosphate (d16:1-P) 20V, Positive-QTOFsplash10-0f79-3491000000-681c01ce0ba73acb91e02021-10-12Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Sphingosine 1-phosphate (d16:1-P) 40V, Positive-QTOFsplash10-052r-9140000000-fe5f867320a22da754d62021-10-12Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Sphingosine 1-phosphate (d16:1-P) 10V, Negative-QTOFsplash10-0udi-1009000000-3fc6a65a035fca6e0e602021-10-12Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Sphingosine 1-phosphate (d16:1-P) 20V, Negative-QTOFsplash10-004i-9000000000-e1f5b79920ef4f1ff1092021-10-12Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Sphingosine 1-phosphate (d16:1-P) 40V, Negative-QTOFsplash10-004i-9000000000-a5e502a2627af2048a1f2021-10-12Wishart LabView Spectrum
Biological Properties
Cellular Locations
  • Membrane (predicted from logP)
Biospecimen Locations
  • Blood
Tissue LocationsNot Available
Pathways
Normal Concentrations
BiospecimenStatusValueAgeSexConditionReferenceDetails
BloodDetected and Quantified0.0033 +/- 0.0012 uMAdult (>18 years old)BothNormal details
Abnormal Concentrations
Not Available
Associated Disorders and Diseases
Disease ReferencesNone
Associated OMIM IDsNone
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FooDB IDNot Available
KNApSAcK IDNot Available
Chemspider IDNot Available
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound52931110
PDB IDNot Available
ChEBI ID84505
Food Biomarker OntologyNot Available
VMH IDNot Available
MarkerDB IDNot Available
Good Scents IDNot Available
References
Synthesis ReferenceNot Available
Material Safety Data Sheet (MSDS)Not Available
General ReferencesNot Available