ChemComp-U4Z: gamma-Carotene

Basic information

• Entry: Database: PDB chemical components / ID: U4Z
• Name: Name: gamma-Carotene; Synonyms: 2-[(1~{E},3~{E},5~{E},7~{E},9~{E},11~{E},13~{E},15~{E},17~{E},19~{E})-3,7,12,16,20,24-hexamethylpentacosa-1,3,5,7,9,11,13,15,17,19,23-undecaenyl]-1,3,3-trimethyl-cyclohexene

Chemical information

Composition

Formula: C₄₀H₅₆ / Number of atoms: 96 / Formula weight: 536.873 / Formal charge: 0

Others

8iug

Type: non-polymer / PDB classification: HETAIN / Three letter code: U4Z / Ideal coordinates details: Corina / Model coordinates PDB-ID: 8IUG

History

Create component	May 15, 2023
Initial release	Nov 22, 2023
Modify name	Nov 24, 2023

• External links: UniChem / ChemSpider / Wikipedia search / Google search

Details

SMILES

• CACTVS 3.385: CC(C)=CCCC(C)=CC=CC(C)=CC=CC(C)=CC=CC=C(C)C=CC=C(C)C=CC1=C(C)CCCC1(C)C
• OpenEye OEToolkits 2.0.7: CC1=C(C(CCC1)(C)C)C=CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C=CC=C(C)CCC=C(C)C)C)C

SMILES CANONICAL

• CACTVS 3.385: CC(C)=CCC/C(C)=C/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C1=C(C)CCCC1(C)C
• OpenEye OEToolkits 2.0.7: CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C=C(\C)/CCC=C(C)C)/C)/C

InChI

• InChI 1.06: InChI=1S/C40H56/c1-32(2)18-13-21-35(5)24-15-26-36(6)25-14-22-33(3)19-11-12-20-34(4)23-16-27-37(7)29-30-39-38(8)28-17-31-40(39,9)10/h11-12,14-16,18-20,22-27,29-30H,13,17,21,28,31H2,1-10H3/b12-11+,22-14+,23-16+,26-15+,30-29+,33-19+,34-20+,35-24+,36-25+,37-27+

InChIKey

• InChI 1.06: HRQKOYFGHJYEFS-BXOLYSJBSA-N

PDB entries

Showing all 3 items

PDB-8iug:
Cryo-EM structure of the RC-LH core complex from roseiflexus castenholzii

PDB-8iun:
Cryo-EM structure of the CRT-LESS RC-LH core complex from roseiflexus castenholzii

PDB-8ydm:
Cryo-EM structure of CaRC-LH complex from Chloroflexus aurantiacus