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CHEBI:136793 - 1-α-linolenoyl-2-[(3E)-hexadecenoyl]-sn-glycero-3-phosphoglycerol

ChEBI IDCHEBI:136793
ChEBI Name1-α-linolenoyl-2-[(3E)-hexadecenoyl]-sn-glycero-3-phosphoglycerol
Stars
ASCII Name1-alpha-linolenoyl-2-[(3E)-hexadecenoyl]-sn-glycero-3-phosphoglycerol
DefinitionA phosphatidylglycerol (18:3/16:1) in which the 1- and 2-acyl groups are specified as α-linolenoyl and (3E)-hexadecenoyl respectively.
Last Modified16 March 2018
Submittermwilliams
DownloadsMolfile
FormulaC40H71O10P
Net Charge0
Average Mass742.972
Monoisotopic Mass742.47849
SMILESCC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)(O)OCC(O)CO)OC(=O)C/C=C/CCCCCCCCCCCC
InChIInChI=1S/C40H71O10P/c1-3-5-7-9-11-13-15-17-18-20-21-23-25-27-29-31-39(43)47-35-38(36-49-51(45,46)48-34-37(42)33-41)50-40(44)32-30-28-26-24-22-19-16-14-12-10-8-6-4-2/h5,7,11,13,17-18,28,30,37-38,41-42H,3-4,6,8-10,12,14-16,19-27,29,31-36H2,1-2H3,(H,45,46)/b7-5-,13-11-,18-17-,30-28+/t37?,38-/m1/s1
InChIKeyDSOFJFHIQQEFSK-AAXVFRENSA-N
Species of MetaboliteComponentSourceComments
Brassica napus (ncbitaxon:3708)
- MetaboLights (MTBLS312)
- PubMed (27500669)
Roles Classification
Biological Roles:
Brassica napus metabolite  Any plant metabolite that is produced by rapeseed (Brassica napus).
Escherichia coli metabolite  Any bacterial metabolite produced during a metabolic reaction in Escherichia coli.
mouse metabolite  Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
ChEBI Ontology
Outgoing Relation(s)
1-α-linolenoyl-2-[(3E)-hexadecenoyl]-sn-glycero-3-phosphoglycerol (CHEBI:136793) has role Brassica napus metabolite (CHEBI:140165)
1-α-linolenoyl-2-[(3E)-hexadecenoyl]-sn-glycero-3-phosphoglycerol (CHEBI:136793) is a L-α-phosphatidylglycerol (CHEBI:60291)
1-α-linolenoyl-2-[(3E)-hexadecenoyl]-sn-glycero-3-phosphoglycerol (CHEBI:136793) is a phosphatidylglycerol 18:3/16:1 (CHEBI:136792)
IUPAC Name 
(2R)-3-{[(2,3-dihydroxypropoxy)(hydroxy)phosphoryl]oxy}-2-{[(3E)-hexadec-3-enoyl]oxy}propyl (9Z,12Z,15Z)-octadeca-9,12,15-trienoate
Synonyms  Source
1-(9Z,12Z,15Z-octadecatrienoyl)-2-(3E-hexadecenoyl)-sn-glycero-3-phosphoglycerolChEBI
18:3-t16:1-PGChEBI
1-18:3-2-trans-16:1-phosphatidylglycerolChEBI
1-α-linolenoyl-2-(3E)-hexadecenoyl-phosphatidylglycerolChEBI
PG(18:3(9Z,12Z,15Z)/16:1(3E))ChEBI
phosphatidylglycerol 18:3(9Z,12Z,15Z)/16:1(3E)ChEBI