SEQ2FUN

BioLiP

PDB CCD ID: F7Q
Number of entries in BioLiP: 0
Chemical formula: C9 H11 N O5
InChI: InChI=1S/C9H11NO5/c10-7(8(12)13)5-9(15-14)3-1-6(11)2-4-9/h1-4,7,14H,5,10H2,(H,12,13)/t7-/m0/s1
InChIKey: ASMCASJKXVEEBU-ZETCQYMHSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.6C1=CC(C=CC1=O)(C[C@@H](C(=O)O)N)OO
CACTVS 3.385N[C@@H](CC1(OO)C=CC(=O)C=C1)C(O)=O
OpenEye OEToolkits 2.0.6C1=CC(C=CC1=O)(CC(C(=O)O)N)OO
CACTVS 3.385N[CH](CC1(OO)C=CC(=O)C=C1)C(O)=O
Name:(2~{S})-2-azanyl-3-[1-(dioxidanyl)-4-oxidanylidene-cyclohexa-2,5-dien-1-yl]propanoic acid

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).