N-(2-hydroxyheptacosanoyl)-15-methylhexadecasphing-4-enine-1-phosphocholine (Q27139205)

CHEBI:70951 (English)

7 October 2016

chemical formula

C₄₉H₉₉N₂O₇P

1 reference

CHEBI:70951 (English)

7 October 2016

canonical SMILES

CCCCCCCCCCCCCCCCCCCCCCCCCC(C(=O)NC(COP(=O)([O-])OCC[N+](C)(C)C)C(C=CCCCCCCCCCC(C)C)O)O

1 reference

CHEBI:70951 (English)

7 October 2016

isomeric SMILES

CCCCCCCCCCCCCCCCCCCCCCCCCC(C(=O)N[C@@H](COP(=O)([O-])OCC[N+](C)(C)C)[C@@H](/C=C/CCCCCCCCCC(C)C)O)O

1 reference

CHEBI:70951 (English)

InChI=1S/C49H99N2O7P/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-28-32-35-38-41-48(53)49(54)50-46(44-58-59(55,56)57-43-42-51(4,5)6)47(52)40-37-34-31-29-26-27-30-33-36-39-45(2)3/h37,40,45-48,52-53H,7-36,38-39,41-44H2,1-6H3,(H-,50,54,55,56)/b40-37+/t46-,47+,48?/m0/s1

7 October 2016

Identifiers

InChI

1 reference

CHEBI:70951 (English)

HTFJKCHLCKQTKC-IVNVYFSQSA-N

7 October 2016

InChIKey

2 references

CHEBI:70951 (English)

7 October 2016

stated in

ChEBI release 2020-09-01

1 reference

(2S,3R,4E)-3-Hydroxy-2-[(2-hydroxyheptacosanoyl)amino]-15-methyl-4-hexadecen-1-yl 2-(trimethylammonio)ethyl phosphate (English)

7 October 2016

2 references

CHEBI:70951 (English)

matched by identifier from

7 October 2016

InChIKey

HTFJKCHLCKQTKC-IVNVYFSQSA-N

ChEBI ID

70951

mapping relation type

2 references

N-(2-hydroxyheptacosanoyl)-15-methylhexadecasphing-4-enine-1-phosphocholine (English)