CHEBI:74829 - 12-aminolauroyl tripalmitoyl cardiolipin

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ChEBI Name 12-aminolauroyl tripalmitoyl cardiolipin ChEBI ID CHEBI:74829 Definition A cardiolipin derivative in which three of the phosphatidyl acyl groups are specified as palmitoyl (hexadecanoyl) with the fourth being 12-aminolauroyl (12-aminododecanoyl). Stars This entity has been manually annotated by the ChEBI Team. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C69H135NO17P2 Net Charge 0 Average Mass 1312.75420 Monoisotopic Mass 1311.92053 InChI InChI=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 InChIKey JMVSWAMUHZZHJC-MGSXVFSVSA-N SMILES CCCCCCCCCCCCCCCC(=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 Roles Classification Biological Role(s): Escherichia coli metabolite Any bacterial metabolite produced during a metabolic reaction in Escherichia coli. (via cardiolipin ) (via phosphatidylglycerol ) human metabolite Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens). (via cardiolipin ) mouse metabolite Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus). (via cardiolipin ) (via phosphatidylglycerol ) View more via ChEBI Ontology ChEBI Ontology Outgoing 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 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-glycerol IUPAC Last Modified 22 July 2013