BioLiP

PDB

BioLiP

PDB CCD ID:

ENV

Number of entries in BioLiP:

Chemical formula:

C14 H25 F N2 O5

InChI:

InChI=1S/C14H25FN2O5/c1-14(2,9-18)12(21)13(22)17-7-5-11(20)16-6-3-4-10(19)8-15/h12,18,21H,3-9H2,1-2H3,(H,16,20)(H,17,22)/t12-/m0/s1

InChIKey:

FTHCNOQGZZPFFG-LBPRGKRZSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.7.0	CC(C)(CO)[C@H](C(=O)NCCC(=O)NCCCC(=O)CF)O
OpenEye OEToolkits 1.7.0	CC(C)(CO)C(C(=O)NCCC(=O)NCCCC(=O)CF)O
CACTVS 3.370	CC(C)(CO)[CH](O)C(=O)NCCC(=O)NCCCC(=O)CF
CACTVS 3.370	CC(C)(CO)[C@@H](O)C(=O)NCCC(=O)NCCCC(=O)CF
ACDLabs 12.01	O=C(NCCC(=O)NCCCC(=O)CF)C(O)C(C)(C)CO

Name:

(2R)-N-{3-[(5-fluoro-4-oxopentyl)amino]-3-oxopropyl}-2,4-dihydroxy-3,3-dimethylbutanamide;
Fluoroacetyl carba(dethia)-pantetheine

ZINC:

ZINC000058650412

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).