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BioLiP

PDB CCD ID: K3I
Number of entries in BioLiP: 1
Chemical formula: C40 H56 O2
InChI: InChI=1S/C40H56O2/c1-29(17-13-19-31(3)21-23-37-33(5)25-35(41)27-39(37,7)8)15-11-12-16-30(2)18-14-20-32(4)22-24-38-34(6)26-36(42)28-40(38,9)10/h11-24,35-36,41-42H,25-28H2,1-10H3/b12-11?,17-13+,18-14?,23-21+,24-22?,29-15+,30-16?,31-19+,32-20?/t35-,36?/m0/s1
InChIKey: JKQXZKUSFCKOGQ-VSRJLPPESA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7CC1=C(C(CC(C1)O)(C)C)C=CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C=CC2=C(CC(CC2(C)C)O)C)C)C
OpenEye OEToolkits 2.0.7CC1=C(C(C[C@H](C1)O)(C)C)/C=C/C(=C/C=C/C(=CC=CC=C(C)C=CC=C(C)C=CC2=C(CC(CC2(C)C)O)C)C)/C
CACTVS 3.385CC(=CC=CC=C(C)C=CC=C(C)C=CC1=C(C)CC(O)CC1(C)C)C=CC=C(C)C=CC2=C(C)C[CH](O)CC2(C)C
CACTVS 3.385CC(=C/C=CC=C(C)C=CC=C(C)C=CC1=C(C)CC(O)CC1(C)C)\C=C\C=C(C)\C=C\C2=C(C)C[C@H](O)CC2(C)C
Name:Zeaxanthin;
zeaxanthin
Reference:
  • Chengxin Zhang, Xi Zhang, Peter L 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).

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