BioLiP

PDB

BioLiP

PDB CCD ID:

OMA

Number of entries in BioLiP:

Chemical formula:

C19 H34 O2

InChI:

InChI=1S/C19H34O2/c1-2-3-4-10-13-17-16-18(17)14-11-8-6-5-7-9-12-15-19(20)21/h4,10,17-18H,2-3,5-9,11-16H2,1H3,(H,20,21)/b10-4+/t17-,18+/m0/s1

InChIKey:

MGOIQHKBDDJUJK-XVSUHRFUSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.7.6	CCC/C=C/C[C@H]1C[C@H]1CCCCCCCCCC(=O)O
ACDLabs 12.01	O=C(O)CCCCCCCCCC1CC1C/C=C/CCC
OpenEye OEToolkits 1.7.6	CCCC=CCC1CC1CCCCCCCCCC(=O)O
CACTVS 3.385	CCCC=CC[CH]1C[CH]1CCCCCCCCCC(O)=O
CACTVS 3.385	CCC/C=C/C[C@H]1C[C@H]1CCCCCCCCCC(O)=O

Name:

10-{(1R,2R)-2-[(2E)-hex-2-en-1-yl]cyclopropyl}decanoic acid

ZINC:

ZINC000230457724

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).