(Q27144714)

C24:1 Sphingomyelin (English)

8 October 2016

chemical formula

C₄₇H₉₃N₂O₆P

1 reference

C24:1 Sphingomyelin (English)

8 October 2016

canonical SMILES

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

1 reference

C24:1 Sphingomyelin (English)

8 October 2016

isomeric SMILES

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

1 reference

C24:1 Sphingomyelin (English)

InChI=1S/C47H93N2O6P/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-26-27-29-31-33-35-37-39-41-47(51)48-45(44-55-56(52,53)54-43-42-49(3,4)5)46(50)40-38-36-34-32-30-28-19-17-15-13-11-9-7-2/h20-21,38,40,45-46,50H,6-19,22-37,39,41-44H2,1-5H3,(H-,48,51,52,53)/b21-20-,40-38+/t45-,46+/m0/s1

8 October 2016

Identifiers

InChI

1 reference

C24:1 Sphingomyelin (English)

8 October 2016

2 references

C24:1 Sphingomyelin (English)

8 October 2016

stated in

ChEBI release 2020-09-01

1 reference

(2S,3R,4E)-3-Hydroxy-2-[(15Z)-15-tetracosenoylamino]-4-octadecen-1-yl 2-(trimethylammonio)ethyl phosphate (English)

8 October 2016

2 references

C24:1 Sphingomyelin (English)

8 October 2016

ChEBI ID

74535

mapping relation type

2 references

N-[(15Z)-tetracosenoyl]sphing-4-enine-1-phosphocholine (English)

8 October 2016

International Chemical Identifier

InChI

InChI=1S/C47H93N2O6P/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-26-27-29-31-33-35-37-39-41-47(51)48-45(44-55-56(52,53)54-43-42-49(3,4)5)46(50)40-38-36-34-32-30-28-19-17-15-13-11-9-7-2/h20-21,38,40,45-46,50H,6-19,22-37,39,41-44H2,1-5H3,(H-,48,51,52,53)/b21-20-,40-38+/t45-,46+/m0/s1

1 reference

Human Metabolome Database ID

HMDB0012107

2 references

based on heuristic

inferred from InChIKey

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

0 references

2 references

6 November 2021

Immune Epitope Database and Analysis Resource

IEDB Epitope ID

239227

1 reference

stated in

IEDB Epitope ID

239227