SEQ2FUN

BioLiP

PDB CCD ID: CN5
Number of entries in BioLiP: 11
Chemical formula: C26 H52 O13 P2
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:
SoftwareSMILES
OpenEye OEToolkits 1.5.0CCCCCCCCCCCCCCC(=O)OCCCOP(=O)(O)OCC(COP(=O)(O)OCCCOC(=O)C)O
ACDLabs 10.04O=C(OCCCOP(=O)(OCC(O)COP(=O)(O)OCCCOC(=O)C)O)CCCCCCCCCCCCCC
CACTVS 3.341CCCCCCCCCCCCCCC(=O)OCCCO[P](O)(=O)OC[CH](O)CO[P](O)(=O)OCCCOC(C)=O
OpenEye OEToolkits 1.5.0CCCCCCCCCCCCCCC(=O)OCCCO[P@](=O)(O)OC[C@H](CO[P@](=O)(O)OCCCOC(=O)C)O
CACTVS 3.341CCCCCCCCCCCCCCC(=O)OCCCO[P@@](O)(=O)OC[C@@H](O)CO[P@@](O)(=O)OCCCOC(C)=O
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
ZINC: ZINC000058631942
Reference:
  • Chengxin Zhang, Xi Zhang, Lydia Freddolino, and Yang Zhang. BioLiP2: an updated structure database for biologically relevent ligand-protein interactions, Nucleic Acids Research, gkad630 (2023).
  • Jianyi Yang, Ambrish Roy, and Yang Zhang. BioLiP: a semi-manually curated database for biologically relevant ligand-protein interactions, Nucleic Acids Research, 41: D1096-D1103 (2013) (download the PDF file).