EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:138926 - 1,2-diheptadecanoyl-sn-glycero-3-phosphoethanolamine

ChEBI IDCHEBI:138926
ChEBI Name1,2-diheptadecanoyl-sn-glycero-3-phosphoethanolamine
Stars
ASCII Name1,2-diheptadecanoyl-sn-glycero-3-phosphoethanolamine
Definition1,2-diacyl-sn-glycero-3-phosphoethanolamine in which the acyl groups at positions 1 and 2 are both specified as heptadecanoyl.
Last Modified2 November 2017
SubmitterSteve
DownloadsMolfile
FormulaC39H78NO8P
Net Charge0
Average Mass720.026
Monoisotopic Mass719.54651
SMILESCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCN)OC(=O)CCCCCCCCCCCCCCCC
InChIInChI=1S/C39H78NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-38(41)45-35-37(36-47-49(43,44)46-34-33-40)48-39(42)32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h37H,3-36,40H2,1-2H3,(H,43,44)/t37-/m1/s1
InChIKeyYSFFAUPDXKTJMR-DIPNUNPCSA-N
ChEBI Ontology
Outgoing Relation(s)
1,2-diheptadecanoyl-sn-glycero-3-phosphoethanolamine (CHEBI:138926) has functional parent heptadecanoic acid (CHEBI:32365)
1,2-diheptadecanoyl-sn-glycero-3-phosphoethanolamine (CHEBI:138926) is a 1,2-diacyl-sn-glycero-3-phosphoethanolamine (CHEBI:64674)
1,2-diheptadecanoyl-sn-glycero-3-phosphoethanolamine (CHEBI:138926) is tautomer of 1,2-diheptadecanoyl-sn-glycero-3-phosphoethanolamine zwitterion (CHEBI:138218)
Incoming Relation(s)
1,2-diheptadecanoyl-sn-glycero-3-phosphoethanolamine zwitterion (CHEBI:138218) is tautomer of 1,2-diheptadecanoyl-sn-glycero-3-phosphoethanolamine (CHEBI:138926)
IUPAC Name 
(2R)-3-{[(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-2-(heptadecanoyloxy)propyl heptadecanoate
Synonyms  Source
PE(17:0/17:0)ChEBI
phosphatidylethanolamine 17:0/17:0ChEBI
Registry NumbersSources
Reaxys:8095262Reaxys
Citations