N-(2-hydroxyhexacosanoyl)-4-hydroxy-15-methylhexadecasphinganine-1-phosphocholine (Q27139207)

CHEBI:70953 (English)

7 October 2016

chemical formula

C₄₈H₉₉N₂O₈P

1 reference

CHEBI:70953 (English)

7 October 2016

canonical SMILES

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

1 reference

CHEBI:70953 (English)

7 October 2016

isomeric SMILES

CCCCCCCCCCCCCCCCCCCCCCCCC(C(=O)N[C@@H](COP(=O)([O-])OCC[N+](C)(C)C)[C@@H]([C@@H](CCCCCCCCCCC(C)C)O)O)O

1 reference

CHEBI:70953 (English)

InChI=1S/C48H99N2O8P/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-30-33-36-39-46(52)48(54)49-44(42-58-59(55,56)57-41-40-50(4,5)6)47(53)45(51)38-35-32-29-27-26-28-31-34-37-43(2)3/h43-47,51-53H,7-42H2,1-6H3,(H-,49,54,55,56)/t44-,45+,46?,47-/m0/s1

7 October 2016

Identifiers

InChI

1 reference

CHEBI:70953 (English)

SOMJLORBTKMLIE-NSGMLZANSA-N

7 October 2016

InChIKey

2 references

CHEBI:70953 (English)

7 October 2016

stated in

ChEBI release 2020-09-01

1 reference

(2S,3S,4R)-3,4-Dihydroxy-2-[(2-hydroxyhexacosanoyl)amino]-15-methylhexadecyl 2-(trimethylammonio)ethyl phosphate (English)

7 October 2016

2 references

CHEBI:70953 (English)

matched by identifier from

7 October 2016

InChIKey

SOMJLORBTKMLIE-NSGMLZANSA-N

ChEBI ID

70953

mapping relation type

2 references

N-(2-hydroxyhexacosanoyl)-4-hydroxy-15-methylhexadecasphinganine-1-phosphocholine (English)