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- ChemComp-IRM: 1,2-Dihydro-psi,psi-caroten-1-ol -

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Basic information

EntryDatabase: PDB chemical components / ID: IRM
NameName: 1,2-Dihydro-psi,psi-caroten-1-ol
Synonyms: Rhodopin; (6~{E},8~{E},10~{E},12~{E},14~{E},16~{E},18~{E},20~{E},22~{E},24~{E},26~{E})-2,6,10,14,19,23,27,31-octamethyldotriaconta-6,8,10,12,14,16,18,20,22,24,26,30-dodecaen-2-ol

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Chemical information

Composition
Formula: C40H58O / Number of atoms: 99 / Formula weight: 554.888 / Formal charge: 0
Others

7zcu

Type: non-polymer / PDB classification: HETAIN / Three letter code: IRM / Ideal coordinates details: Corina / Model coordinates PDB-ID: 7ZCU
History
Create componentApr 7, 2022
Modify descriptorAug 22, 2022
Initial releaseOct 5, 2022
Modify synonymsOct 5, 2022
External linksUniChem / ChemSpider / Wikipedia search / Google search

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

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Details

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SMILES

CACTVS 3.385CC(C)=CCCC(C)=CC=CC(C)=CC=CC(C)=CC=CC=C(C)C=CC=C(C)C=CC=C(C)CCCC(C)(C)O
OpenEye OEToolkits 2.0.7CC(=CCCC(=CC=CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C=CC=C(C)CCCC(C)(C)O)C)C)C)C

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SMILES CANONICAL

CACTVS 3.385CC(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/C=C(\C)CCCC(C)(C)O
OpenEye OEToolkits 2.0.7CC(=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)/CCCC(C)(C)O)/C)/C)/C)C

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InChI

InChI 1.06InChI=1S/C40H58O/c1-33(2)19-13-22-36(5)25-16-28-37(6)26-14-23-34(3)20-11-12-21-35(4)24-15-27-38(7)29-17-30-39(8)31-18-32-40(9,10)41/h11-12,14-17,19-21,23-30,41H,13,18,22,31-32H2,1-10H3/b12-11+,23-14+,24-15+,28-16+,29-17+,34-20+,35-21+,36-25+,37-26+,38-27+,39-30+

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InChIKey

InChI 1.06CNYVJTJLUKKCGM-RGGGOQHISA-N

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PDB entries

Showing all 5 items

PDB-7zcu:
PucA-LH2 complex from Rps. palustris

PDB-7zdi:
PucB-LH2 complex from Rps. palustris

PDB-7ze8:
PucE-LH2 complex from Rps. palustris

PDB-9dwz:
Light Harvesting complex 3 (LH3), B800-B820, of Rhodoblastus (Rbl.) acidophilus strain 7750

PDB-9ek8:
Light Harvesting complex 2 (LH2), B800-B850, of Rhodoblastus (Rbl.) acidophilus strain 7750

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