CHEBI:78229 - 1,2-dioctanoyl-sn-glycero-3-phosphate(2−)

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ChEBI Name 1,2-dioctanoyl-sn-glycero-3-phosphate(2−)
ChEBI ID CHEBI:78229
ChEBI ASCII Name 1,2-dioctanoyl-sn-glycero-3-phosphate(2-)
Definition A 1,2-diacyl-sn-glycerol 3-phosphate(2−) obtained by deprotonation of the phosphate OH groups of 1,2-dioctanoyl-sn-glycero-3-phosphate; major species at pH 7.3.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Lucila Aimo
Supplier Information
Download Molfile XML SDF
Formula C19H35O8P
Net Charge -2
Average Mass 422.45130
Monoisotopic Mass 422.20805
InChI InChI=1S/C19H37O8P/c1-3-5-7-9-11-13-18(20)25-15-17(16-26-28(22,23)24)27-19(21)14-12-10-8-6-4-2/h17H,3-16H2,1-2H3,(H2,22,23,24)/p-2/t17-/m1/s1
InChIKey XYSBQYUENLDGMI-QGZVFWFLSA-L
SMILES CCCCCCCC(=O)OC[C@H](COP([O-])([O-])=O)OC(=O)CCCCCCC
Roles Classification
Biological Role(s): human metabolite
Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
(via phosphatidate(2-) )
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ChEBI Ontology
Outgoing 1,2-dioctanoyl-sn-glycero-3-phosphate(2−) (CHEBI:78229) has functional parent octanoate (CHEBI:25646)
1,2-dioctanoyl-sn-glycero-3-phosphate(2−) (CHEBI:78229) is a 1,2-diacyl-sn-glycerol 3-phosphate(2−) (CHEBI:58608)
1,2-dioctanoyl-sn-glycero-3-phosphate(2−) (CHEBI:78229) is conjugate base of 1,2-dioctanoyl-sn-glycero-3-phosphate (CHEBI:79075)
Incoming 1,2-dioctanoyl-sn-glycero-3-phosphate (CHEBI:79075) is conjugate acid of 1,2-dioctanoyl-sn-glycero-3-phosphate(2−) (CHEBI:78229)
IUPAC Name
(2R)-2,3-bis(octanoyloxy)propyl phosphate
Synonyms Sources
1,2-dicapryloyl-sn-glycero-3-phosphate(2−) ChEBI
1,2-dioctanoyl-sn-glycero-3-phosphate UniProt
PA 8:0/8:0(2−) SUBMITTER
Last Modified
04 July 2014