(Q27133310)

SM(d18:1/15:0) (English)

7 October 2016

chemical formula

C₃₈H₇₇N₂O₆P

1 reference

SM(d18:1/15:0) (English)

7 October 2016

canonical SMILES

CCCCCCCCCCCCCCC(=O)NC(COP(=O)([O-])OCC[N+](C)(C)C)C(C=CCCCCCCCCCCCCC)O

1 reference

SM(d18:1/15:0) (English)

7 October 2016

isomeric SMILES

CCCCCCCCCCCCCCC(=O)N[C@@H](COP(=O)([O-])OCC[N+](C)(C)C)[C@@H](/C=C/CCCCCCCCCCCCC)O

1 reference

SM(d18:1/15:0) (English)

InChI=1S/C38H77N2O6P/c1-6-8-10-12-14-16-18-20-21-23-25-27-29-31-37(41)36(35-46-47(43,44)45-34-33-40(3,4)5)39-38(42)32-30-28-26-24-22-19-17-15-13-11-9-7-2/h29,31,36-37,41H,6-28,30,32-35H2,1-5H3,(H-,39,42,43,44)/b31-29+/t36-,37+/m0/s1

7 October 2016

Identifiers

InChI

1 reference

SM(d18:1/15:0) (English)

LQINJRUGTUOHGS-YPDYIYJKSA-N

7 October 2016

InChIKey

2 references

SM(d18:1/15:0) (English)

7 October 2016

stated in

ChEBI release 2020-09-01

1 reference

(2S,3R,4E)-3-Hydroxy-2-(pentadecanoylamino)-4-octadecen-1-yl 2-(trimethylammonio)ethyl phosphate (English)

7 October 2016

1 reference

SM(d18:1/15:0) (English)

7 October 2016

ChEBI ID

64485

mapping relation type

1 reference

Human Metabolome Database ID

N-pentadecanoylsphingosine-1-phosphocholine (English)

7 October 2016

1 reference

HMDB0240608

1 reference

based on heuristic

inferred from InChIKey

0 references

1 reference

https://www.swisslipids.org/#/downloads