CHEBI:173221 - 1,1ʼ,2-trioleoyl-2ʼ-palmitoyl-cardiolipin(2−)

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name 1,1ʼ,2-trioleoyl-2ʼ-palmitoyl-cardiolipin(2−)
ChEBI ID CHEBI:173221
ChEBI ASCII Name 1,1',2-trioleoyl-2'-palmitoyl-cardiolipin(2-)
Stars This entity has been manually annotated by a third party.
Submitter Lucila Aimo
Supplier Information
Download Molfile XML SDF
Formula C79H146O17P2
Net Charge -2
Average Mass 1429.969
Monoisotopic Mass 1429.00462
InChI InChI=1S/C79H148O17P2/c1-5-9-13-17-21-25-29-33-36-40-43-47-51-55-59-63-76(81)89-69-74(95-78(83)65-61-57-53-49-45-39-32-28-24-20-16-12-8-4)71-93-97(85,86)91-67-73(80)68-92-98(87,88)94-72-75(96-79(84)66-62-58-54-50-46-42-38-35-31-27-23-19-15-11-7-3)70-90-77(82)64-60-56-52-48-44-41-37-34-30-26-22-18-14-10-6-2/h33-38,73-75,80H,5-32,39-72H2,1-4H3,(H,85,86)(H,87,88)/p-2/b36-33-,37-34-,38-35-/t73?,74-,75-/m1/s1
InChIKey JUNMAHCDPSQWFI-YBYXMQIVSA-L
SMILES [C@H](OC(CCCCCCC/C=C\CCCCCCCC)=O)(COP(OCC(COP(OC[C@H](OC(=O)CCCCCCCCCCCCCCC)COC(CCCCCCC/C=C\CCCCCCCC)=O)([O-])=O)O)([O-])=O)COC(CCCCCCC/C=C\CCCCCCCC)=O
ChEBI Ontology
Outgoing 1,1ʼ,2-trioleoyl-2ʼ-palmitoyl-cardiolipin(2−) (CHEBI:173221) has functional parent hexadecanoate (CHEBI:7896)
1,1ʼ,2-trioleoyl-2ʼ-palmitoyl-cardiolipin(2−) (CHEBI:173221) has functional parent oleate (CHEBI:30823)
1,1ʼ,2-trioleoyl-2ʼ-palmitoyl-cardiolipin(2−) (CHEBI:173221) is a cardiolipin 70:3(2−) (CHEBI:72889)
Synonym Source
1ʼ-[1,2-di-(9Z-octadecenoyl)-sn-glycero-3-phospho]-3ʼ-[1-(9Z-octadecenoyl)-2-hexadecanoyl-sn-glycero-3-phospho]-glycerol UniProt
Citation Waiting for Citations Type Source
29091407 PubMed citation SUBMITTER