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CHEBI:74829 - 12-aminolauroyl tripalmitoyl cardiolipin

ChEBI IDCHEBI:74829
ChEBI Name12-aminolauroyl tripalmitoyl cardiolipin
Stars
DefinitionA cardiolipin derivative in which three of the phosphatidyl acyl groups are specified as palmitoyl (hexadecanoyl) with the fourth being 12-aminolauroyl (12-aminododecanoyl).
Last Modified22 July 2013
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC69H135NO17P2
Net Charge0
Average Mass1312.777
Monoisotopic Mass1311.92053
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
InChIInChI=1S/C69H135NO17P2/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)/t63-,64+,65+/m0/s1
InChIKeyJMVSWAMUHZZHJC-MGSXVFSVSA-N
Roles Classification
Biological Roles:
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).
human metabolite  Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
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).
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)
12-aminolauroyl tripalmitoyl cardiolipin (CHEBI:74829) is a cardiolipin (CHEBI:28494)
12-aminolauroyl tripalmitoyl cardiolipin (CHEBI:74829) is conjugate acid of 12-aminolauroyl tripalmitoyl cardiolipin(2−) (CHEBI:74832)
Incoming Relation(s)
12-aminolauroyl tripalmitoyl cardiolipin(2−) (CHEBI:74832) is conjugate base of 12-aminolauroyl tripalmitoyl cardiolipin (CHEBI:74829)
IUPAC Names 
(2R,14R)-14-{[(12-aminododecanoyl)oxy]methyl}-2-(hexadecanoyloxy)-5,8,11-trihydroxy-5,11-dioxido-16-oxo-4,6,10,12,15-pentaoxa-5λ5,11λ5-diphosphahentriacont-1-yl hexadecanoate
1-[1-(12-aminododecanoyl)-2-hexadecanoyl-sn-glycero-3-phospho]-3-[1,2-bis(hexadecanoyl)-sn-glycero-3-phospho]-sn-glycerol
Synonym  Source
1-[1-(12-aminolauroyl)-2-palmitoyl-sn-glycero-3-phospho]-3-[1,2-bis(palmitoyl)-sn-glycero-3-phospho]-sn-glycerolIUPAC