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CHEBI:138923 - 1-heptanoyl-2-hexanoyl-sn-glycero-3-phosphoethanolamine

ChEBI IDCHEBI:138923
ChEBI Name1-heptanoyl-2-hexanoyl-sn-glycero-3-phosphoethanolamine
Stars
ASCII Name1-heptanoyl-2-hexanoyl-sn-glycero-3-phosphoethanolamine
Definition1,2-diacyl-sn-glycero-3-phosphoethanolamine in which the acyl groups at positions 1 and 2 are specified as heptanoyl and hexanoyl respectively.
Last Modified2 November 2017
SubmitterSteve
DownloadsMolfile
FormulaC18H36NO8P
Net Charge0
Average Mass425.459
Monoisotopic Mass425.21785
SMILESCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCN)OC(=O)CCCCC
InChIInChI=1S/C18H36NO8P/c1-3-5-7-9-10-17(20)24-14-16(27-18(21)11-8-6-4-2)15-26-28(22,23)25-13-12-19/h16H,3-15,19H2,1-2H3,(H,22,23)/t16-/m1/s1
InChIKeyBVSONJOGLYNESH-MRXNPFEDSA-N
ChEBI Ontology
Outgoing Relation(s)
1-heptanoyl-2-hexanoyl-sn-glycero-3-phosphoethanolamine (CHEBI:138923) has functional parent heptanoic acid (CHEBI:45571)
1-heptanoyl-2-hexanoyl-sn-glycero-3-phosphoethanolamine (CHEBI:138923) has functional parent hexanoic acid (CHEBI:30776)
1-heptanoyl-2-hexanoyl-sn-glycero-3-phosphoethanolamine (CHEBI:138923) is a 1,2-diacyl-sn-glycero-3-phosphoethanolamine (CHEBI:64674)
1-heptanoyl-2-hexanoyl-sn-glycero-3-phosphoethanolamine (CHEBI:138923) is tautomer of 1-heptanoyl-2-hexanoyl-sn-glycero-3-phosphoethanolamine zwitterion (CHEBI:138217)
Incoming Relation(s)
1-heptanoyl-2-hexanoyl-sn-glycero-3-phosphoethanolamine zwitterion (CHEBI:138217) is tautomer of 1-heptanoyl-2-hexanoyl-sn-glycero-3-phosphoethanolamine (CHEBI:138923)
IUPAC Name 
(2R)-3-{[(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-2-(hexanoyloxy)propyl heptanoate
Synonyms  Source
PE(7:0/6:0)ChEBI
phosphatidylethanolamine 7:0/6:0ChEBI
Citations