15-methylhexadecasphing-4-enine-1-phosphocholine(1+) (Q27139259)

CID70679041 (English)

7 October 2016

chemical formula

C₂₂H₄₈N₂O₅P⁺

1 reference

based on heuristic

inferred from SMILES

canonical SMILES

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

1 reference

CID70679041 (English)

7 October 2016

isomeric SMILES

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

1 reference

CID70679041 (English)

InChI=1S/C22H47N2O5P/c1-20(2)15-13-11-9-7-6-8-10-12-14-16-22(25)21(23)19-29-30(26,27)28-18-17-24(3,4)5/h14,16,20-22,25H,6-13,15,17-19,23H2,1-5H3/p+1/b16-14+/t21-,22+/m0/s1

7 October 2016

Identifiers

InChI

1 reference

CID70679041 (English)

IKLLJLKSBDTNCU-DSKXTJLJSA-O

7 October 2016

InChIKey

2 references

CID70679041 (English)

7 October 2016

stated in

ChEBI release 2020-09-01

1 reference

(2S,3R,4E)-2-Ammonio-3-hydroxy-15-methyl-4-hexadecen-1-yl 2-(trimethylammonio)ethyl phosphate (English)

7 October 2016

1 reference

CID70679041 (English)

7 October 2016

ChEBI ID

71021

mapping relation type

1 reference

15-methylhexadecasphing-4-enine-1-phosphocholine(1+) (English)