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- ChemComp-F6C: Chlorophyll F -

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Basic information

EntryDatabase: PDB chemical components / ID: F6C
NameName: Chlorophyll F
Synonyms: [methyl 9-ethenyl-14-ethyl-8-formyl-4,13,18-trimethyl-20-oxo-3-{3-oxo-3-[(3,7,11,15-tetramethylhexadec-2-en-1-yl)oxy]propyl}-3,4,23,25-tetradehydro-24,26-dihydrophorbine-21-carboxylatato(2-) ...Synonyms: [methyl 9-ethenyl-14-ethyl-8-formyl-4,13,18-trimethyl-20-oxo-3-{3-oxo-3-[(3,7,11,15-tetramethylhexadec-2-en-1-yl)oxy]propyl}-3,4,23,25-tetradehydro-24,26-dihydrophorbine-21-carboxylatato(2-)-kappa~4~N~23~,N~24~,N~25~,N~26~]magnesium

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Chemical information

Composition
Formula: C55H68MgN4O6 / Number of atoms: 134 / Formula weight: 905.457 / Formal charge: 0
OthersType: NON-POLYMER / PDB classification: HETAIN / Three letter code: F6C / Ideal coordinates details: Corina
History
Create componentJul 3, 2019
Other modificationJan 9, 2020
Initial releaseJan 15, 2020
Modify synonymsMar 13, 2021
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

ACDLabs 12.01C(CC(=O)OC\C=C(/C)CCCC(C)CCCC(C)CCCC(C)C)C=9C=3N4C(=CC8=N5C(=Cc6c(C)c(CC)c7C=C1N(=C2C=3C(C(=O)C2=C1C)C(=O)OC)[Mg]45n67)C(/C=C)=C8C=O)C=9C
CACTVS 3.385CCc1c(C)c2C=C3N=C(C=C4[N]5[Mg]n2c1C=C6N=C7C(=C5C(=C4C)CCC(=O)OCC=C(C)CCC[CH](C)CCC[CH](C)CCCC(C)C)[CH](C(=O)OC)C(=O)C7=C6C)C(=C3C=C)C=O
OpenEye OEToolkits 2.0.7CCc1c(c2n3c1C=C4C(=C5C(=O)C(C6=C7C(=C(C8=CC9=[N]([Mg]3(N87)[N]4=C65)C(=C2)C(=C9C=O)C=C)C)CCC(=O)OCC=C(C)CCCC(C)CCCC(C)CCCC(C)C)C(=O)OC)C)C

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SMILES CANONICAL

CACTVS 3.385CCc1c(C)c2C=C3N=C(C=C4[N@@]5[Mg]n2c1C=C6N=C7C(=C5C(=C4C)CCC(=O)OC\C=C(/C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)[C@@H](C(=O)OC)C(=O)C7=C6C)C(=C3C=C)C=O
OpenEye OEToolkits 2.0.7CCc1c(c2n3c1C=C4C(=C5C(=O)[C@@H](C6=C7C(=C(C8=CC9=[N]([Mg]3(N87)[N]4=C65)C(=C2)C(=C9C=O)C=C)C)CCC(=O)OC/C=C(\C)/CCC[C@H](C)CCCC(C)CCCC(C)C)C(=O)OC)C)C

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InChI

InChI 1.03InChI=1S/C55H69N4O6.Mg/c1-12-38-35(8)42-27-46-39(13-2)41(30-60)47(57-46)28-43-36(9)40(52(58-43)50-51(55(63)64-11)54(62)49-37(10)44(59-53(49)50)29-45(38)56-42)23-24-48(61)65-26-25-34(7)22-16-21-33(6)20-15-19-32(5)18-14-17-31(3)4;/h13,25,27-33,51H,2,12,14-24,26H2,1,3-11H3,(H-,56,57,58,59,60,62);/q-1;+2/p-1/b34-25+,42-27-,43-28-,44-29-,45-29-,46-27-,47-28-,52-50-;/t32-,33-,51-;/m1./s1

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InChIKey

InChI 1.03YUTLCKLMRUVWDE-FOFJUSMOSA-M

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