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- ChemComp-STD: STREPTOLYDIGIN -

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ID or keywords:

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Basic information

EntryDatabase: PDB chemical components / ID: STD
NameName: streptolydigin / Synonyms: 2-PYRROLIDINEACETAMIDE; PORTAMYCIN
Commentantibiotic*YM

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Chemical information

Composition
Formula: C32H44N2O9 / Number of atoms: 87 / Formula weight: 600.7 / Formal charge: 0
Others

2a6h

Type: NON-POLYMER / PDB classification: HETAD / Three letter code: STD / Model coordinates PDB-ID: 2A6H
History
Create componentAug 1, 2005
Modify descriptorJun 4, 2011
Modify synonymsMay 27, 2020
Modify synonymsMar 13, 2021
External linksUniChem / ChemSpider / ChEBI / ChEMBL / DrugBank / Metabolights / NMRShiftDB / Nikkaji / PubChem / 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

ACDLabs 10.04O=C(NC)C(C)C2C(=O)/C(C(=O)N2C1OC(C)C(O)CC1)=C(\O)/C=C/C(=C/C(C5OC4(OC(C=CC34OC3)C5C)C)C)C
CACTVS 3.341CNC(=O)[CH](C)[CH]1N([CH]2CC[CH](O)[CH](C)O2)C(=O)C(=C(O)C=CC(C)=C[CH](C)[CH]3O[C]4(C)O[CH](C=C[C]45CO5)[CH]3C)C1=O
OpenEye OEToolkits 1.5.0CC1C2C=CC3(CO3)C(O2)(OC1C(C)C=C(C)C=CC(=C4C(=O)C(N(C4=O)C5CCC(C(O5)C)O)C(C)C(=O)NC)O)C

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SMILES CANONICAL

CACTVS 3.341CNC(=O)[C@@H](C)[C@@H]1N([C@@H]2CC[C@H](O)[C@H](C)O2)C(=O)\C(=C(O)/C=C/C(C)=C/[C@@H](C)[C@H]3O[C@@]4(C)O[C@H](C=C[C@@]45CO5)[C@@H]3C)C1=O
OpenEye OEToolkits 1.5.0C[C@H]1[C@H]2C=C[C@@]3(CO3)[C@](O2)(O[C@@H]1[C@H](C)\C=C(/C)\C=C\C(=C/4\C(=O)[C@@H](N(C4=O)[C@@H]5CC[C@@H]([C@@H](O5)C)O)[C@H](C)C(=O)NC)\O)C

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InChI

InChI 1.03InChI=1S/C32H44N2O9/c1-16(14-17(2)28-18(3)23-12-13-32(15-40-32)31(6,42-23)43-28)8-9-22(36)25-27(37)26(19(4)29(38)33-7)34(30(25)39)24-11-10-21(35)20(5)41-24/h8-9,12-14,17-21,23-24,26,28,35-36H,10-11,15H2,1-7H3,(H,33,38)/b9-8+,16-14+,25-22+/t17-,18+,19+,20+,21+,23-,24+,26+,28-,31-,32-/m1/s1

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InChIKey

InChI 1.03KVTPRMVXYZKLIG-NCAOFHFGSA-N

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SYSTEMATIC NAME

ACDLabs 10.04(2S)-2-{(2S,4E)-4-{(2E,4E,6R)-6-[(1R,2R,5R,6S,7R)-1,6-dimethylspiro[8,9-dioxabicyclo[3.3.1]non-3-ene-2,2'-oxiran]-7-yl]-1-hydroxy-4-methylhepta-2,4-dien-1-ylidene}-1-[(2S,5S,6S)-5-hydroxy-6-methyltetrahydro-2H-pyran-2-yl]-3,5-dioxopyrrolidin-2-yl}-N-methylpropanamide
OpenEye OEToolkits 1.5.0(2S)-2-[(2S,4E)-4-[(2E,4E,6R)-6-[(1R,4R,5R,7R,8S)-5,8-dimethylspiro[6,9-dioxabicyclo[3.3.1]non-2-ene-4,2'-oxirane]-7-yl]-1-hydroxy-4-methyl-hepta-2,4-dienylidene]-1-[(2S,5S,6S)-5-hydroxy-6-methyl-oxan-2-yl]-3,5-dioxo-pyrrolidin-2-yl]-N-methyl-propanamide

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PDB entries

Showing all 3 items

PDB-1zyr:
Structure of Thermus thermophilus RNA polymerase holoenzyme in complex with the antibiotic streptolydigin

PDB-2a6h:
Crystal structure of the T. thermophilus RNA polymerase holoenzyme in complex with antibiotic sterptolydigin

PDB-2ppb:
Crystal structure of the T. thermophilus RNAP polymerase elongation complex with the ntp substrate analog and antibiotic streptolydigin

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