BioLiP

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●I-TASSER ●I-TASSER-MTD ●C-I-TASSER ●CR-I-TASSER ●QUARK ●C-QUARK ●LOMETS ●MUSTER ●CEthreader ●SEGMER ●DeepFold ●DeepFoldRNA ●FoldDesign ●COFACTOR ●COACH ●MetaGO ●TripletGO ●IonCom ●FG-MD ●ModRefiner ●REMO ●DEMO ●DEMO-EM ●DMFold ●SPRING ●COTH ●Threpp ●PEPPI ●BSpred ●ANGLOR ●EDock ●BSP-SLIM ●SAXSTER ●FUpred ●ThreaDom ●ThreaDomEx ●EvoDesign ●BindProf ●BindProfX ●SSIPe ●GPCR-I-TASSER ●MAGELLAN ●ResQ ●STRUM ●DAMpred

●TM-score ●TM-align ●US-align ●MM-align ●RNA-align ●NW-align ●LS-align ●EDTSurf ●MVP ●MVP-Fit ●SPICKER ●HAAD ●PSSpred ●3DRobot ●MR-REX ●I-TASSER-MR ●SVMSEQ ●NeBcon ●ResPRE ●TripletRes ●DeepPotential ●WDL-RF ●ATPbind ●DockRMSD ●DeepMSA ●FASPR ●EM-Refiner ●GPU-I-TASSER

●BioLiP ●E. coli ●GLASS ●GPCR-HGmod ●GPCR-RD ●GPCR-EXP ●Tara-3D ●TM-fold ●DECOYS ●POTENTIAL ●RW/RWplus ●EvoEF ●HPSF ●THE-DB ●ADDRESS ●Alpaca-Antibody ●CASP7 ●CASP8 ●CASP9 ●CASP10 ●CASP11 ●CASP12 ●CASP13 ●CASP14

BioLiP

PDB

BioLiP

PDB CCD ID:

KDB

Number of entries in BioLiP:

Chemical formula:

C8 H12 O6

InChI:

InChI=1S/C8H12O6/c9-4-5(10)6-2-1-3-8(13,14-6)7(11)12/h1,3,5-6,9-10,13H,2,4H2,(H,11,12)/t5-,6+,8-/m1/s1

InChIKey:

ITFIFEKDEVIBCW-GKROBHDKSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	C1C=C[C@@](O[C@@H]1[C@@H](CO)O)(C(=O)O)O
CACTVS 3.385	OC[CH](O)[CH]1CC=C[C](O)(O1)C(O)=O
ACDLabs 12.01	OC1(C(=O)O)C=CCC(C(CO)O)O1
OpenEye OEToolkits 2.0.7	C1C=CC(OC1C(CO)O)(C(=O)O)O
CACTVS 3.385	OC[C@@H](O)[C@@H]1CC=C[C@@](O)(O1)C(O)=O

Name:

3,4,5-trideoxy-alpha-D-erythro-oct-3-en-2-ulopyranosonic acid;
3,4-dehydro-3,4,5-trideoxy-alpha-D-manno-oct-2-ulosonic acid;
3,4,5-trideoxy-alpha-D-erythro-oct-3-en-2-ulosonic acid;
3,4,5-trideoxy-D-erythro-oct-3-en-2-ulosonic acid;
3,4,5-trideoxy-erythro-oct-3-en-2-ulosonic acid

ZINC:

ZINC000058638928

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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