CHEBI:72845 - 1-octadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phospho-(1'-sn-glycerol)(1−)

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ChEBI Name 1-octadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phospho-(1'-sn-glycerol)(1−)
ChEBI ID CHEBI:72845
ChEBI ASCII Name 1-octadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phospho-(1'-sn-glycerol)(1-)
Definition A 1,2-diacyl-sn-glycero-3-phospho-(1'-sn-glycerol)(1−) in which the 1- and 2-acyl groups are specified as octadecanoyl (stearoyl) and 9Z-octadecenoyl (oleoyl) respectively; major species at pH 7.3.
Stars This entity has been manually annotated by the ChEBI Team.
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Supplier Information
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Formula C42H80O10P
Net Charge -1
Average Mass 776.05240
Monoisotopic Mass 775.54946
InChI InChI=1S/C42H81O10P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-41(45)49-37-40(38-51-53(47,48)50-36-39(44)35-43)52-42(46)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h18,20,39-40,43-44H,3-17,19,21-38H2,1-2H3,(H,47,48)/p-1/b20-18-/t39-,40+/m0/s1
InChIKey ZEFGRNLJASLRBZ-QIJYXWHJSA-M
SMILES CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP([O-])(=O)OC[C@@H](O)CO)OC(=O)CCCCCCC\C=C/CCCCCCCC
Roles Classification
Biological Role(s): human metabolite
Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
(via phosphatidylglycerol(1-) )
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ChEBI Ontology
Outgoing 1-octadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phospho-(1'-sn-glycerol)(1−) (CHEBI:72845) is a 1,2-diacyl-sn-glycero-3-phospho-(1'-sn-glycerol)(1−) (CHEBI:64716)
1-octadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phospho-(1'-sn-glycerol)(1−) (CHEBI:72845) is a phosphatidylglycerol 36:1(1−) (CHEBI:75199)
1-octadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phospho-(1'-sn-glycerol)(1−) (CHEBI:72845) is conjugate base of 1-octadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phospho-(1'-sn-glycerol) (CHEBI:73242)
Incoming 2-oleoyl-sn-glycero-3-phospho-(1ʼ-sn-glycerol) (CHEBI:141490) has functional parent 1-octadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phospho-(1'-sn-glycerol)(1−) (CHEBI:72845)
1-octadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phospho-(1'-sn-glycerol) (CHEBI:73242) is conjugate acid of 1-octadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phospho-(1'-sn-glycerol)(1−) (CHEBI:72845)
IUPAC Name
(2S)-2,3-dihydroxypropyl (2R)-3-(octadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl phosphate
Synonyms Sources
1-octadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phospho-(1'-sn-glycerol) UniProt
1-stearoyl-2-oleoyl-sn-glycero-3-phospho-(1'-sn-glycerol)(1−) ChEBI
2-oleoyl-1-stearoyl-sn-glycero-3-phospho-(1'-sn-glycerol)(1−) ChEBI
PG(18:0/18:1(9Z)) SUBMITTER
Last Modified
10 December 2013