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- ChemComp-UYC: 3-[2-[(~{Z})-[5-[(~{Z})-[(4~{R})-3-ethylidene-4-methyl-5-oxidanyl... -

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Basic information

EntryDatabase: PDB chemical components / ID: UYC
NameName: 3-[2-[(~{Z})-[5-[(~{Z})-[(4~{R})-3-ethylidene-4-methyl-5-oxidanylidene-pyrrolidin-2-ylidene]methyl]-3-(3-hydroxy-3-oxopropyl)-4-methyl-pyrrol-2-ylidene]methyl]-5-[(~{Z})-(4-ethyl-3-methyl-5- ...Name: 3-[2-[(~{Z})-[5-[(~{Z})-[(4~{R})-3-ethylidene-4-methyl-5-oxidanylidene-pyrrolidin-2-ylidene]methyl]-3-(3-hydroxy-3-oxopropyl)-4-methyl-pyrrol-2-ylidene]methyl]-5-[(~{Z})-(4-ethyl-3-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-4-methyl-1~{H}-pyrrol-3-yl]propanoic acid

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Chemical information

Composition
Formula: C33H38N4O6 / Number of atoms: 81 / Formula weight: 586.678 / Formal charge: 0
Others

7e2t

Type: non-polymer / PDB classification: HETAIN / Three letter code: UYC / Ideal coordinates details: Corina / Model coordinates PDB-ID: 7E2T
History
Create componentFeb 18, 2021
Modify coordinatesMar 16, 2021
Initial releaseAug 25, 2021
External linksUniChem / ChemSpider / Brenda / ChEBI / ZINC / 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 3.385CCC1=C(C)C(NC1=O)=Cc2[nH]c(C=C3N=C(C=C4NC(=O)[CH](C)C4=CC)C(=C3CCC(O)=O)C)c(CCC(O)=O)c2C
OpenEye OEToolkits 2.0.7CCC1=C(C(=Cc2c(c(c([nH]2)C=C3C(=C(C(=N3)C=C4C(=CC)C(C(=O)N4)C)C)CCC(=O)O)CCC(=O)O)C)NC1=O)C

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SMILES CANONICAL

CACTVS 3.385CCC1=C(C)C(/NC1=O)=C/c2[nH]c(\C=C3/N=C(\C=C\4NC(=O)[C@H](C)C\4=C/C)C(=C3CCC(O)=O)C)c(CCC(O)=O)c2C
OpenEye OEToolkits 2.0.7CCC1=C(/C(=C/c2c(c(c([nH]2)/C=C\3/C(=C(C(=N3)/C=C\4/C(=CC)[C@H](C(=O)N4)C)C)CCC(=O)O)CCC(=O)O)C)/NC1=O)C

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InChI

InChI 1.03InChI=1S/C33H38N4O6/c1-7-20-19(6)32(42)37-27(20)14-25-18(5)23(10-12-31(40)41)29(35-25)15-28-22(9-11-30(38)39)17(4)24(34-28)13-26-16(3)21(8-2)33(43)36-26/h7,13-15,19,34H,8-12H2,1-6H3,(H,36,43)(H,37,42)(H,38,39)(H,40,41)/b20-7-,26-13-,27-14-,29-15-/t19-/m1/s1

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InChIKey

InChI 1.03XAVVMXGLKJSJDU-NSNBCYBJSA-N

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PDB entries

Showing all 1 items

PDB-7e2t:
Synechocystis GUN4 in complex with phycocyanobilin

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