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CHEBI:82928 - 1-palmitoyl-2-[(4Z,7Z,10Z,13Z,16Z,19Z)-docosahexaenoyl]-sn-glycero-3-phosphate(2−)

ChEBI IDCHEBI:82928
ChEBI Name1-palmitoyl-2-[(4Z,7Z,10Z,13Z,16Z,19Z)-docosahexaenoyl]-sn-glycero-3-phosphate(2−)
Stars
ASCII Name1-palmitoyl-2-[(4Z,7Z,10Z,13Z,16Z,19Z)-docosahexaenoyl]-sn-glycero-3-phosphate(2-)
DefinitionA 1,2-diacyl-sn-glycerol 3-phosphate(2−) in which the 1- and 2-acyl substituent are specified as palmitoyl and (4Z,7Z,10Z,13Z,16Z,19Z)-docosahexaenoyl respectively; major species at pH 7.3.
Last Modified18 November 2014
SubmitterAnneNiknejad
DownloadsMolfile
FormulaC41H67O8P
Net Charge-2
Average Mass718.953
Monoisotopic Mass718.45845
SMILESCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCC)COP(=O)([O-])[O-]
InChIInChI=1S/C41H69O8P/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-24-26-28-30-32-34-36-41(43)49-39(38-48-50(44,45)46)37-47-40(42)35-33-31-29-27-25-23-16-14-12-10-8-6-4-2/h5,7,11,13,17-18,20-21,24,26,30,32,39H,3-4,6,8-10,12,14-16,19,22-23,25,27-29,31,33-38H2,1-2H3,(H2,44,45,46)/p-2/b7-5-,13-11-,18-17-,21-20-,26-24-,32-30-/t39-/m1/s1
InChIKeyNXXSEGVRTTVEEI-QPKMWZFCSA-L
Roles Classification
Biological Role:
human metabolite  Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
ChEBI Ontology
Outgoing Relation(s)
1-palmitoyl-2-[(4Z,7Z,10Z,13Z,16Z,19Z)-docosahexaenoyl]-sn-glycero-3-phosphate(2−) (CHEBI:82928) is a 1,2-diacyl-sn-glycerol 3-phosphate(2−) (CHEBI:58608)
1-palmitoyl-2-[(4Z,7Z,10Z,13Z,16Z,19Z)-docosahexaenoyl]-sn-glycero-3-phosphate(2−) (CHEBI:82928) is conjugate base of 1-palmitoyl-2-[(4Z,7Z,10Z,13Z,16Z,19Z)-docosahexaenoyl]-sn-glycero-3-phosphate (CHEBI:83785)
Incoming Relation(s)
1-palmitoyl-2-[(4Z,7Z,10Z,13Z,16Z,19Z)-docosahexaenoyl]-sn-glycero-3-phosphate (CHEBI:83785) is conjugate acid of 1-palmitoyl-2-[(4Z,7Z,10Z,13Z,16Z,19Z)-docosahexaenoyl]-sn-glycero-3-phosphate(2−) (CHEBI:82928)
IUPAC Name 
(2R)-3-(hexadecanoyloxy)-2-[(4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoyloxy]propyl phosphate
Synonym  Source
1-palmitoyl-2-docosahexaenoyl-sn-glycero-3-phosphate(2−)ChEBI
UniProt Name  Source
1-hexadecanoyl-2-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-sn-glycero-3-phosphateUniProt
Citations