(Q27465452)

Sphingosyl-phosphocholine (English)

19 October 2016

chemical formula

C₂₃H₅₀N₂O₅P⁺

1 reference

based on heuristic

inferred from SMILES

canonical SMILES

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

1 reference

Sphingosyl-phosphocholine (English)

19 October 2016

isomeric SMILES

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

1 reference

Recon 2.2: from reconstruction to model of human metabolism

Sphingosyl-phosphocholine (English)

19 October 2016

1 reference

Identifiers

InChI

InChI=1S/C23H49N2O5P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23(26)22(24)21-30-31(27,28)29-20-19-25(2,3)4/h17-18,22-23,26H,5-16,19-21,24H2,1-4H3/p+1/b18-17+/t22-,23+/m0/s1

1 reference

Sphingosyl-phosphocholine (English)

19 October 2016

2 references

Sphingosyl-phosphocholine (English)

19 October 2016

stated in

ChEBI release 2020-09-01

1 reference

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

19 October 2016

2 references

Sphingosyl-phosphocholine (English)

19 October 2016

25245908

1 reference

ChEBI ID

58906

mapping relation type

exact match

2 references

stated in

ChEBI release 2019-10-02

International Chemical Identifier

InChI

InChI=1S/C23H49N2O5P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23(26)22(24)21-30-31(27,28)29-20-19-25(2,3)4/h17-18,22-23,26H,5-16,19-21,24H2,1-4H3/p+1/b18-17+/t22-,23+/m0/s1

52897

mapping relation type

exact match

1 reference

International Chemical Identifier

InChI

InChI=1S/C23H49N2O5P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23(26)22(24)21-30-31(27,28)29-20-19-25(2,3)4/h17-18,22-23,26H,5-16,19-21,24H2,1-4H3/p+1/b18-17+/t22-,23+/m0/s1

Human Metabolome Database ID

HMDB0006482

2 references

based on heuristic

inferred from InChIKey

0 references

1 reference

0 references

1 reference

3IF7 (English)

19 October 2016

1 reference

4NT2 (English)