CHEBI:73091 - 1-octadecanoyl-sn-glycero-3-phospho-(1'-sn-glycerol)

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 1-octadecanoyl-sn-glycero-3-phospho-(1'-sn-glycerol)
ChEBI ID CHEBI:73091
ChEBI ASCII Name 1-octadecanoyl-sn-glycero-3-phospho-(1'-sn-glycerol)
Definition A 1-acyl-sn-glycero 3-phospho-(1'-sn-glycerol) in which the acyl group is specified as octadecanoyl (stearoyl).
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information ZINC000328578043
Download Molfile XML SDF
Formula C24H49O9P
Net Charge 0
Average Mass 512.61420
Monoisotopic Mass 512.31142
InChI InChI=1S/C24H49O9P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-24(28)31-19-23(27)21-33-34(29,30)32-20-22(26)18-25/h22-23,25-27H,2-21H2,1H3,(H,29,30)/t22-,23+/m0/s1
InChIKey HFJVKBVEKQHVTO-XZOQPEGZSA-N
SMILES CCCCCCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(O)(=O)OC[C@@H](O)CO
ChEBI Ontology
Outgoing 1-octadecanoyl-sn-glycero-3-phospho-(1'-sn-glycerol) (CHEBI:73091) is a 1-acyl-sn-glycero-3-phospho-(1'-sn-glycerol) (CHEBI:64845)
1-octadecanoyl-sn-glycero-3-phospho-(1'-sn-glycerol) (CHEBI:73091) is conjugate acid of 1-octadecanoyl-sn-glycero-3-phospho-(1'-sn-glycerol)(1−) (CHEBI:72827)
Incoming 1-octadecanoyl-sn-glycero-3-phospho-(1'-sn-glycerol)(1−) (CHEBI:72827) is conjugate base of 1-octadecanoyl-sn-glycero-3-phospho-(1'-sn-glycerol) (CHEBI:73091)
IUPAC Name
(2R)-3-({[(2S)-2,3-dihydroxypropoxy](hydroxy)phosphoryl}oxy)-2-hydroxypropyl octadecanoate
Synonyms Sources
(2R)-3-({[(2S)-2,3-dihydroxypropoxy](hydroxy)phosphoryl}oxy)-2-hydroxypropyl stearate IUPAC
1-stearoyl-sn-glycero-3-phospho-(1'-sn-glycerol) ChEBI
PG(18:0/0:0) LIPID MAPS
Manual Xref Database
LMGP04050009 LIPID MAPS
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Registry Number Type Source
20444696 Reaxys Registry Number Reaxys
Last Modified
03 April 2013