CHEBI:77561 - trioleoyl 2-monolysocardiolipin

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name trioleoyl 2-monolysocardiolipin
ChEBI ID CHEBI:77561
Definition A 2-monolysocardiolipin in which all three phosphatidyl acyl groups are specified as oleoyl.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C63H118O16P2
Net Charge 0
Average Mass 1193.54890
Monoisotopic Mass 1192.78951
InChI InChI=1S/C63H118O16P2/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-61(66)73-52-58(64)53-75-80(69,70)76-54-59(65)55-77-81(71,72)78-57-60(79-63(68)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)56-74-62(67)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h25-30,58-60,64-65H,4-24,31-57H2,1-3H3,(H,69,70)(H,71,72)/b28-25-,29-26-,30-27-/t58-,59?,60-/m1/s1
InChIKey NGKFXJNJRVPYMN-IYJDKBLTSA-N
SMILES CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@@H](O)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC
Roles Classification
Biological Role(s): Escherichia coli metabolite
Any bacterial metabolite produced during a metabolic reaction in Escherichia coli.
(via phosphatidylglycerol )
mouse metabolite
Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
(via phosphatidylglycerol )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing trioleoyl 2-monolysocardiolipin (CHEBI:77561) has functional parent oleic acid (CHEBI:16196)
trioleoyl 2-monolysocardiolipin (CHEBI:77561) is a 2-monolysocardiolipin (CHEBI:60430)
trioleoyl 2-monolysocardiolipin (CHEBI:77561) is conjugate acid of trioleoyl 2-monolysocardiolipin(2−) (CHEBI:77259)
Incoming trioleoyl 2-monolysocardiolipin(2−) (CHEBI:77259) is conjugate base of trioleoyl 2-monolysocardiolipin (CHEBI:77561)
IUPAC Name
(9Z,21R,33R,44Z)-24,27,30,33-tetrahydroxy-24,30-dioxido-18,36-dioxo-19,23,25,29,31,35-hexaoxa-24λ5,30λ5-diphosphatripentaconta-9,44-dien-21-yl (9Z)-octadec-9-enoate
Synonyms Sources
1ʼ-[1,2-di(9Z)-octadecenoyl-sn-glycero-3-phospho]-3ʼ-[1-(9Z)-octadecenoyl-sn-glycero-3-phospho]glycerol ChEBI
trioleyl lysocardiolipin ChEBI
Last Modified
28 February 2014