(Q27162232)

C24:1-OH Sphingomyelin (English)

9 October 2016

chemical formula

C₄₇H₉₃N₂O₇P

1 reference

C24:1-OH Sphingomyelin (English)

9 October 2016

canonical SMILES

CCCCCCCCCCCCCC=CC(C(COP(=O)([O-])OCC[N+](C)(C)C)NC(=O)CC(CCCCCCCCCCCC=CCCCCCCCC)O)O

1 reference

C24:1-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(CCCCCCCCCCC/C=C\CCCCCCCC)O)O

1 reference

C24:1-OH Sphingomyelin (English)

InChI=1S/C47H93N2O7P/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-27-28-30-32-34-36-38-44(50)42-47(52)48-45(43-56-57(53,54)55-41-40-49(3,4)5)46(51)39-37-35-33-31-29-26-19-17-15-13-11-9-7-2/h20-21,37,39,44-46,50-51H,6-19,22-36,38,40-43H2,1-5H3,(H-,48,52,53,54)/b21-20-,39-37+/t44?,45-,46+/m0/s1

9 October 2016

Identifiers

InChI

1 reference

C24:1-OH Sphingomyelin (English)

IOOMOQUTKQGEFH-BSZNTFKYSA-N

9 October 2016

InChIKey

2 references

C24:1-OH Sphingomyelin (English)

9 October 2016

stated in

ChEBI release 2020-09-01

1 reference

(2S,3R,4E)-3-Hydroxy-2-{[(15Z)-3-hydroxy-15-tetracosenoyl]amino}-4-octadecen-1-yl 2-(trimethylammonio)ethyl phosphate (English)

9 October 2016

1 reference

C24:1-OH Sphingomyelin (English)

9 October 2016

ChEBI ID

90006

mapping relation type

1 reference