BioLiP

PDB

BioLiP

PDB CCD ID:

1X6

Number of entries in BioLiP:

Chemical formula:

C6 H10 N2 O4

InChI:

InChI=1S/C6H10N2O4/c7-2-1-5(9)12-3-4(8)6(10)11/h1-2,4H,3,7-8H2,(H,10,11)/b2-1+/t4-/m0/s1

InChIKey:

XNIFBFLYOMFDJD-QPHDTYRISA-N

SMILES:

Software	SMILES
CACTVS 3.370	NC=CC(=O)OC[CH](N)C(O)=O
CACTVS 3.370	N/C=C/C(=O)OC[C@H](N)C(O)=O
OpenEye OEToolkits 1.7.2	C(C(C(=O)O)N)OC(=O)C=CN
OpenEye OEToolkits 1.7.2	C([C@@H](C(=O)O)N)OC(=O)/C=C/N
ACDLabs 12.01	O=C(OCC(C(=O)O)N)\C=C\N

Name:

O-[(2E)-3-AMINOPROP-2-ENOYL]-L-SERINE

ZINC:

ZINC000098208047

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).