N-(2-hydroxyicosanoyl)-15-methylhexadecasphing-4-enine-1-phosphocholine (Q27139176)

CHEBI:70904 (English)

7 October 2016

chemical formula

C₄₂H₈₅N₂O₇P

1 reference

CHEBI:70904 (English)

7 October 2016

canonical SMILES

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

1 reference

CHEBI:70904 (English)

7 October 2016

isomeric SMILES

CCCCCCCCCCCCCCCCCCC(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:70904 (English)

InChI=1S/C42H85N2O7P/c1-7-8-9-10-11-12-13-14-15-16-17-18-21-25-28-31-34-41(46)42(47)43-39(37-51-52(48,49)50-36-35-44(4,5)6)40(45)33-30-27-24-22-19-20-23-26-29-32-38(2)3/h30,33,38-41,45-46H,7-29,31-32,34-37H2,1-6H3,(H-,43,47,48,49)/b33-30+/t39-,40+,41?/m0/s1

7 October 2016

Identifiers

InChI

1 reference

CHEBI:70904 (English)

RVVUSUSGQSRNIR-XIXQLRCCSA-N

7 October 2016

InChIKey

2 references

CHEBI:70904 (English)

7 October 2016

stated in

ChEBI release 2020-09-01

1 reference

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

7 October 2016

2 references

CHEBI:70904 (English)

matched by identifier from

7 October 2016

InChIKey

RVVUSUSGQSRNIR-XIXQLRCCSA-N

ChEBI ID

70904

mapping relation type

2 references

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