CHEBI:77961 - 1,2-dioctanoyl-sn-glycerol 3-diphosphate

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 1,2-dioctanoyl-sn-glycerol 3-diphosphate
ChEBI ID CHEBI:77961
ChEBI ASCII Name 1,2-dioctanoyl-sn-glycerol 3-diphosphate
Definition A 1,2-diacyl-sn-glycerol 3-diphosphate in which both of the phosphatidyl acyl groups are specified as octanoyl.
Stars This entity has been manually annotated by the ChEBI Team.
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Formula C19H38O11P2
Net Charge 0
Average Mass 504.44590
Monoisotopic Mass 504.18894
InChI InChI=1S/C19H38O11P2/c1-3-5-7-9-11-13-18(20)27-15-17(16-28-32(25,26)30-31(22,23)24)29-19(21)14-12-10-8-6-4-2/h17H,3-16H2,1-2H3,(H,25,26)(H2,22,23,24)/t17-/m1/s1
InChIKey MBDSUZSCJLRKPC-QGZVFWFLSA-N
SMILES CCCCCCCC(=O)OC[C@H](COP(O)(=O)OP(O)(O)=O)OC(=O)CCCCCCC
ChEBI Ontology
Outgoing 1,2-dioctanoyl-sn-glycerol 3-diphosphate (CHEBI:77961) is a 1,2-diacyl-sn-glycerol 3-diphosphate (CHEBI:59998)
1,2-dioctanoyl-sn-glycerol 3-diphosphate (CHEBI:77961) is a octanoate ester (CHEBI:87657)
1,2-dioctanoyl-sn-glycerol 3-diphosphate (CHEBI:77961) is conjugate acid of 1,2-dioctanoyl-sn-glycerol 3-diphosphate(3−) (CHEBI:82765)
Incoming 1,2-dioctanoyl-sn-glycerol 3-diphosphate(3−) (CHEBI:82765) is conjugate base of 1,2-dioctanoyl-sn-glycerol 3-diphosphate (CHEBI:77961)
IUPAC Name
(2R)-3-{[hydroxy(phosphonooxy)phosphoryl]oxy}propane-1,2-diyl dioctanoate
Synonym Source
1,2-dioctanoyl-sn-glycerol 3-pyrophosphate ChEBI
Registry Number Type Source
10219543 Reaxys Registry Number Reaxys
Last Modified
27 August 2015