(Q27162233)

C16:1-OH Sphingomyelin (English)

9 October 2016

chemical formula

C₃₉H₇₇N₂O₇P

1 reference

C16:1-OH Sphingomyelin (English)

9 October 2016

canonical SMILES

CCCCCCCCCCCCCC=CC(C(COP(=O)([O-])OCC[N+](C)(C)C)NC(=O)CC(CCCCCC=CCCCCCC)O)O

1 reference

C16:1-OH Sphingomyelin (English)

9 October 2016

isomeric SMILES

CCCCCCCCCCCCC/C=C/[C@H]([C@H](COP(=O)([O-])OCC[N+](C)(C)C)NC(=O)CC(CCCCC/C=C\CCCCCC)O)O

1 reference

C16:1-OH Sphingomyelin (English)

InChI=1S/C39H77N2O7P/c1-6-8-10-12-14-16-18-19-21-23-25-27-29-31-38(43)37(35-48-49(45,46)47-33-32-41(3,4)5)40-39(44)34-36(42)30-28-26-24-22-20-17-15-13-11-9-7-2/h17,20,29,31,36-38,42-43H,6-16,18-19,21-28,30,32-35H2,1-5H3,(H-,40,44,45,46)/b20-17-,31-29+/t36?,37-,38+/m0/s1

9 October 2016

Identifiers

InChI

1 reference

C16:1-OH Sphingomyelin (English)

LPHMSPONPQCKTL-FKUNDBCPSA-N

9 October 2016

InChIKey

2 references

C16:1-OH Sphingomyelin (English)

9 October 2016

stated in

ChEBI release 2020-09-01

1 reference

(2S,3R,4E)-3-Hydroxy-2-{[(9Z)-3-hydroxy-9-hexadecenoyl]amino}-4-octadecen-1-yl 2-(trimethylammonio)ethyl phosphate (English)

9 October 2016

1 reference

C16:1-OH Sphingomyelin (English)

9 October 2016

ChEBI ID

90007

mapping relation type

1 reference