SEQ2FUN

BioLiP

PDB CCD ID: C0L
Number of entries in BioLiP: 4
Chemical formula: C30 H41 N O7
InChI: InChI=1S/C30H41NO7/c1-7-8-9-12-21(3)24(32)17-15-20(2)14-16-23(5)28(34)27-25(33)19-26(38-29(27)35)22(4)13-10-11-18-31-30(36)37-6/h7-8,11-12,14,16,18-19,22,24,32,34H,9-10,13,15,17H2,1-6H3,(H,31,36)/b8-7+,18-11+,20-14+,21-12+,23-16+,28-27?/t22-,24-/m1/s1
InChIKey: YSXWOFMOJMYBIO-GCBVVPFWSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385COC(=O)N\C=C\CC[C@@H](C)C1=CC(=O)/C(C(=O)O1)=C(O)/C(C)=C/C=C(C)/CC[C@@H](O)C(/C)=C/C/C=C/C
OpenEye OEToolkits 2.0.6CC=CCC=C(C)C(CCC(=CC=C(C)C(=C1C(=O)C=C(OC1=O)C(C)CCC=CNC(=O)OC)O)C)O
OpenEye OEToolkits 2.0.6C/C=C/C/C=C(\C)/[C@@H](CC/C(=C/C=C(\C)/C(=C1C(=O)C=C(OC1=O)[C@H](C)CC/C=C/NC(=O)OC)O)/C)O
ACDLabs 12.01CC=[C@H]C\C=C(/C)C(O)CCC(=[C@H]\C=C(/C)\C(O)=C1\C(=O)C=C(OC1=O)C(CC[C@H]=CNC(=O)OC)C)C
CACTVS 3.385COC(=O)NC=CCC[CH](C)C1=CC(=O)C(C(=O)O1)=C(O)C(C)=CC=C(C)CC[CH](O)C(C)=CCC=CC
Name:methyl [(1E,5R)-5-{(3E)-3-[(2E,4E,8R,9E,12E)-1,8-dihydroxy-2,5,9-trimethyltetradeca-2,4,9,12-tetraen-1-ylidene]-2,4-dioxo-3,4-d ihydro-2H-pyran-6-yl}hex-1-en-1-yl]carbamate;
Corallopyronin A
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).