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Ligand ID | CN5 |
InChI | InChI=1S/C26H52O13P2/c1-3-4-5-6-7-8-9-10-11-12-13-14-17-26(29)35-19-16-21-37-41(32,33)39-23-25(28)22-38-40(30,31)36-20-15-18-34-24(2)27/h25,28H,3-23H2,1-2H3,(H,30,31)(H,32,33)/t25-/m0/s1 |
InChIKey | UKWPDXFRXMWSMQ-VWLOTQADSA-N |
SMILES | Software | SMILES |
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OpenEye OEToolkits 1.5.0 | CCCCCCCCCCCCCCC(=O)OCCCOP(=O)(O)OCC(COP(=O)(O)OCCCOC(=O)C)O | ACDLabs 10.04 | O=C(OCCCOP(=O)(OCC(O)COP(=O)(O)OCCCOC(=O)C)O)CCCCCCCCCCCCCC | CACTVS 3.341 | CCCCCCCCCCCCCCC(=O)OCCCO[P](O)(=O)OC[CH](O)CO[P](O)(=O)OCCCOC(C)=O | OpenEye OEToolkits 1.5.0 | CCCCCCCCCCCCCCC(=O)OCCCO[P@](=O)(O)OC[C@H](CO[P@](=O)(O)OCCCOC(=O)C)O | CACTVS 3.341 | CCCCCCCCCCCCCCC(=O)OCCCO[P@@](O)(=O)OC[C@@H](O)CO[P@@](O)(=O)OCCCOC(C)=O |
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Formula | C26 H52 O13 P2 |
Name | (5S,11R)-5,8,11-trihydroxy-5,11-dioxido-17-oxo-4,6,10,12,16-pentaoxa-5,11-diphosphaoctadec-1-yl pentadecanoate; CARDIOLIPIN |
ChEMBL | |
DrugBank | |
ZINC | ZINC000058631942
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PDB chain | 8e7s Chain J Residue 402
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