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BioLiP

PDB CCD ID: 3V4
Number of entries in BioLiP: 2
Chemical formula: C10 H16
InChI: InChI=1S/C10H16/c1-7-4-5-8-9(6-7)10(8,2)3/h4,8-9H,5-6H2,1-3H3/t8-,9+/m0/s1
InChIKey: BQOFWKZOCNGFEC-DTWKUNHWSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.6CC1=CCC2C(C1)C2(C)C
CACTVS 3.385CC1=CC[CH]2[CH](C1)C2(C)C
CACTVS 3.385
OpenEye OEToolkits 1.7.6		CC1=CC[C@H]2[C@@H](C1)C2(C)C
ACDLabs 12.01C1(=CCC2C(C1)C2(C)C)C
Name:(+)-3-carene;
(1R,6S)-3,7,7-trimethylbicyclo[4.1.0]hept-3-ene
ZINC: ZINC000000967562
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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