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CHEBI:74834 - 12-aminolauroyl tripalmitoyl cardiolipin diammonium salt

ChEBI IDCHEBI:74834
ChEBI Name12-aminolauroyl tripalmitoyl cardiolipin diammonium salt
Stars
DefinitionThe ammonium salt formed from association of two ammonium cations with the dianion of 12-aminolauroyl tripalmitoyl cardiolipin.
Last Modified15 February 2019
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC69H133NO17P2.2H4N
Net Charge0
Average Mass1346.839
Monoisotopic Mass1345.97362
SMILESCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OC[C@H](O)COP(=O)([O-])OC[C@@H](COC(=O)CCCCCCCCCCCN)OC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC.[NH4+].[NH4+]
InChIInChI=1S/C69H135NO17P2.2H3N/c1-4-7-10-13-16-19-22-25-28-32-37-42-47-52-66(72)80-59-64(86-68(74)54-49-44-39-33-29-26-23-20-17-14-11-8-5-2)61-84-88(76,77)82-57-63(71)58-83-89(78,79)85-62-65(60-81-67(73)53-48-43-38-35-31-36-41-46-51-56-70)87-69(75)55-50-45-40-34-30-27-24-21-18-15-12-9-6-3;;/h63-65,71H,4-62,70H2,1-3H3,(H,76,77)(H,78,79);2*1H3/t63-,64+,65+;;/m0../s1
InChIKeyJTWNRGBZSWTQDT-QEVAIFLWSA-N
ChEBI Ontology
Outgoing Relation(s)
12-aminolauroyl tripalmitoyl cardiolipin diammonium salt (CHEBI:74834) has part 12-aminolauroyl tripalmitoyl cardiolipin(2−) (CHEBI:74832)
12-aminolauroyl tripalmitoyl cardiolipin diammonium salt (CHEBI:74834) is a ammonium salt (CHEBI:47704)
12-aminolauroyl tripalmitoyl cardiolipin diammonium salt (CHEBI:74834) is a organic ammonium salt (CHEBI:143100)
IUPAC Name 
diammonium (2R)-3-[(12-aminododecanoyl)oxy]-2-(hexadecanoyloxy)propyl (2R)-2,3-bis(hexadecanoyloxy)propyl 2-hydroxypropane-1,3-diyl bis(phosphate)
Synonym  Source
diammonium (2R)-3-[(12-aminododecanoyl)oxy]-2-(palmitoyloxy)propyl (2R)-2,3-bis(palmitoyloxy)propyl 2-hydroxypropane-1,3-diyl bis(phosphate)IUPAC
Citations