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- ChemComp-PVN: PHYCOVIOLOBILIN -

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Basic information

EntryDatabase: PDB chemical components / ID: PVN
NameName: phycoviolobilin / Synonyms: Phycoviolobilin, bound form

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Chemical information

Composition
Formula: C33H40N4O6 / Number of atoms: 83 / Formula weight: 588.694 / Formal charge: 0
Others

2j96

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: PVN / Ideal coordinates details: Corina / Model coordinates PDB-ID: 2J96
History
Create componentNov 2, 2006
Modify descriptorJun 4, 2011
Modify synonymsJul 17, 2012
Modify value orderJul 17, 2012
Modify synonymsJun 5, 2020
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 3.370CCC1=C(C)C(=O)N[CH]1Cc2[nH]c(C=C3N=C(C=C4NC(=O)C(=C4C)CC)C(=C3CCC(O)=O)C)c(CCC(O)=O)c2C
OpenEye OEToolkits 1.7.6CCC1=C(C(=O)NC1Cc2c(c(c([nH]2)C=C3C(=C(C(=N3)C=C4C(=C(C(=O)N4)CC)C)C)CCC(=O)O)CCC(=O)O)C)C

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SMILES CANONICAL

CACTVS 3.370CCC1=C(C)C(=O)N[C@@H]1Cc2[nH]c(\C=C\3N=C(\C=C/4NC(=O)C(=C/4C)CC)C(=C\3CCC(O)=O)C)c(CCC(O)=O)c2C
OpenEye OEToolkits 1.7.6CCC1=C(C(=O)N[C@@H]1Cc2c(c(c([nH]2)/C=C\3/C(=C(C(=N3)/C=C/4\C(=C(C(=O)N4)CC)C)C)CCC(=O)O)CCC(=O)O)C)C

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InChI

InChI 1.03InChI=1S/C33H40N4O7/c1-7-20-15(2)25(36-33(20)44)12-23-16(3)21(8-10-29(39)40)26(34-23)14-27-22(9-11-30(41)42)17(4)24(35-27)13-28-31(19(6)38)18(5)32(43)37-28/h12,14,19,28,35,38H,7-11,13H2,1-6H3,(H,36,44)(H,37,43)(H,39,40)(H,41,42)/b25-12+,26-14-/t19?,28-/m1/s1

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InChIKey

InChI 1.03SYEAKBPGLNVPDH-HVONXEAXSA-N

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PDB entries

Showing all 3 items

PDB-2j96:
The E-configuration of alfa-Phycoerythrocyanin

PDB-2m7v:
Green Light-Absorbing State of TePixJ, an Active Cyanobacteriochrome Domain

PDB-5y6p:
Structure of the phycobilisome from the red alga Griffithsia pacifica

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