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Molecule Detail Page

Molecule name

Cardiolipin

Additional molecule names

English en
Cardiolypin
CL
Chinese zh
心磷脂

Molecular Structure

Properties calculated from structure

PropertyValue ?
FormulaC13H16*4O17P2
Weight506.207 [g/mol]
Complexity669.43
XLogP-2.98
TPSA242.61
#HDonors1
#HAcceptors17
Gibbs Energy ( -382.2 ) [kcal/mol]
1H NMR spectrum Predict NMR spectrum
Isotopic distribution Predict Isotopic distribution

Structure representations/Cross-references

PropertyValue ?
SMILES[*H3]C(=O)OC[C@@H](CO[P+]([O-])([O-])OC[C@H](O)CO[P+]([O-])([O-])OC[C@H](COC([*H3])=O)OC([*H3])=O)OC([*H3])=O
InChIInChI=1S/C13H18O17P2/c14-7-23-3-12(25-9-16)5-29-31(19,20)27-1-11(18)2-28-32(21,22)30-6-13(26-10-17)4-24-8-15/h11-13,18H,1-6H2,(H,19,20)(H,21,22)/p-2/t12-,13-/m1/s1
InChI-Key InChIKey=OZAXQCAYRJCVHH-CHWSQXEVSA-L
KEGG ID C05980
ChEBI ID None
PubChem-CID None

Taxonomy

toggle 2 taxonomy entries

Most similar molecules

toggle 1 molecule (tanimoto >90%)

Reactions the molecule is involved in

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Pathways the molecule is involved in

toggle 3 pathways