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CDP-1-stearoyl-2-arachidonoyl-sn-glycerol(2-)

Go to external page http://purl.obolibrary.org/obo/CHEBI_85349

A CDP-diacylglycerol(2-) obtained by deprotonation of the diphosphate OH groups of CDP-1-stearoyl-2-arachidonoyl-sn-glycerol; major species at pH 7.3.

Term info

Label

CDP-1-stearoyl-2-arachidonoyl-sn-glycerol(2-)

Synonyms
  • 5'-O-[({[(2R)-2-{[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoyl]oxy}-3-(octadecanoyloxy)propoxy]phosphinato}oxy)phosphinato]cytidine
database cross reference
Subsets

3_STAR

IUPAC NAME
5'-O-[({[(2R)-2-{[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoyl]oxy}-3-(octadecanoyloxy)propoxy]phosphinato}oxy)phosphinato]cytidine [ IUPAC ]

charge

-2

formula

C50H83N3O15P2

has obo namespace

chebi_ontology

has related synonym

CDP-1-octadecanoyl-2-(5Z,8Z,11Z,14Z-icosatetraenoyl)-sn-glycerol(2-), CDP-1-octadecanoyl-2-(5Z,8Z,11Z,14Z-eicosatetraenoyl)-sn-glycerol(2-), 1-octadecanoyl-2-(5Z,8Z,11Z,14Z-icosatetraenoyl)-sn-glycero-3-cytidine-5'-diphosphate(2-), 1-octadecanoyl-2-(5Z,8Z,11Z,14Z-eicosatetraenoyl)-sn-glycero-3-cytidine-5'-diphosphate

id

CHEBI:85349

inchi

InChI=1S/C50H85N3O15P2/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-46(55)66-42(39-63-45(54)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2)40-64-69(59,60)68-70(61,62)65-41-43-47(56)48(57)49(67-43)53-38-37-44(51)52-50(53)58/h11,13,17,19,22,24,28,30,37-38,42-43,47-49,56-57H,3-10,12,14-16,18,20-21,23,25-27,29,31-36,39-41H2,1-2H3,(H,59,60)(H,61,62)(H2,51,52,58)/p-2/b13-11-,19-17-,24-22-,30-28-/t42-,43-,47-,48-,49-/m1/s1

inchikey

MXWMCLVKMTUATQ-UMHKXKCNSA-L

mass

1028.15370

monoisotopicmass

1027.53104

smiles

CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1ccc(N)nc1=O)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC