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- ChemComp-7LZ: (3~{Z},5~{E},7~{R},8~{S},10~{S},11~{Z},13~{S},14~{R},15~{S},17~{S... -

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Open data


ID or keywords:

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Basic information

EntryDatabase: PDB chemical components / ID: 7LZ
NameName: (3~{Z},5~{E},7~{R},8~{S},10~{S},11~{Z},13~{S},14~{R},15~{S},17~{S},20~{R},21~{S},22~{S})-22-[(2~{S},3~{Z})-hexa-3,5-dien-2-yl]-7,13,15,17,21-pentamethyl-8,10,14,20-tetrakis(oxidanyl)-1- ...Name: (3~{Z},5~{E},7~{R},8~{S},10~{S},11~{Z},13~{S},14~{R},15~{S},17~{S},20~{R},21~{S},22~{S})-22-[(2~{S},3~{Z})-hexa-3,5-dien-2-yl]-7,13,15,17,21-pentamethyl-8,10,14,20-tetrakis(oxidanyl)-1-oxacyclodocosa-3,5,11-trien-2-one

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Chemical information

Composition
Formula: C32H52O6 / Number of atoms: 90 / Formula weight: 532.752 / Formal charge: 0
Others

5mf4

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: 7LZ / Ideal coordinates details: Corina / Model coordinates PDB-ID: 5MF4
History
Create componentNov 18, 2016
Initial releaseSep 20, 2017
External linksUniChem / ChemSpider / Nikkaji / PubChem / PubChem_TPharma / SureChEMBL / 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 3.385C[CH]1CC[CH](O)[CH](C)[CH](OC(=O)C=CC=C[CH](C)[CH](O)C[CH](O)C=C[CH](C)[CH](O)[CH](C)C1)[CH](C)C=CC=C
OpenEye OEToolkits 2.0.6CC1CCC(C(C(OC(=O)C=CC=CC(C(CC(C=CC(C(C(C1)C)O)C)O)O)C)C(C)C=CC=C)C)O

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SMILES CANONICAL

CACTVS 3.385C[C@H]1CC[C@@H](O)[C@H](C)[C@@H](OC(=O)\C=C/C=C/[C@@H](C)[C@@H](O)C[C@H](O)\C=C/[C@H](C)[C@H](O)[C@@H](C)C1)[C@@H](C)\C=C/C=C
OpenEye OEToolkits 2.0.6C[C@H]1CC[C@H]([C@@H]([C@@H](OC(=O)/C=C\C=C\[C@H]([C@H](C[C@@H](/C=C\[C@@H]([C@@H]([C@H](C1)C)O)C)O)O)C)[C@@H](C)/C=C\C=C)C)O

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InChI

InChI 1.03InChI=1S/C32H52O6/c1-8-9-12-24(5)32-26(7)28(34)18-15-21(2)19-25(6)31(37)23(4)16-17-27(33)20-29(35)22(3)13-10-11-14-30(36)38-32/h8-14,16-17,21-29,31-35,37H,1,15,18-20H2,2-7H3/b12-9-,13-10+,14-11-,17-16-/t21-,22+,23-,24-,25-,26-,27+,28+,29-,31-,32-/m0/s1

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InChIKey

InChI 1.03OFPZNTXZCGKCMU-VXBOPZJTSA-N

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SYSTEMATIC NAME

OpenEye OEToolkits 2.0.6(3~{Z},5~{E},7~{R},8~{S},10~{S},11~{Z},13~{S},14~{R},15~{S},17~{S},20~{R},21~{S},22~{S})-22-[(2~{S},3~{Z})-hexa-3,5-dien-2-yl]-7,13,15,17,21-pentamethyl-8,10,14,20-tetrakis(oxidanyl)-1-oxacyclodocosa-3,5,11-trien-2-one

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PDB entries

Showing all 1 items

PDB-5mf4:
Tubulin-Dictyostatin complex

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