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- ChemComp-291: prop-2-en-1-yl 7-O-carbamoyl-L-glycero-alpha-D-manno-heptopyranoside -

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Basic information

EntryDatabase: PDB chemical components / ID: 291
NameName: prop-2-en-1-yl 7-O-carbamoyl-L-glycero-alpha-D-manno-heptopyranoside
Synonyms: prop-2-en-1-yl 7-O-carbamoyl-L-glycero-alpha-D-manno-heptoside; prop-2-en-1-yl

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Chemical information

Composition
Formula: C11H19NO8 / Number of atoms: 39 / Formula weight: 293.27 / Formal charge: 0
Others

2rid

GMH

Type: D-saccharide / PDB classification: ATOMS / Three letter code: 291 / Ideal coordinates details: Corina / Model coordinates PDB-ID: 2RID / Parent comp.: GMH
History
Create componentNov 9, 2007
Modify descriptorJun 4, 2011
Other modificationJul 3, 2020
Modify parent residueJul 17, 2020
Modify synonymsJul 17, 2020
Modify atom idJul 17, 2020
Modify component atom idJul 17, 2020
Modify leaving atom flagJul 17, 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

ACDLabs 10.04O=C(OCC(O)C1OC(OC/C=C)C(O)C(O)C1O)N
CACTVS 3.341NC(=O)OC[CH](O)[CH]1O[CH](OCC=C)[CH](O)[CH](O)[CH]1O
OpenEye OEToolkits 1.5.0C=CCOC1C(C(C(C(O1)C(COC(=O)N)O)O)O)O

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SMILES CANONICAL

CACTVS 3.341NC(=O)OC[C@H](O)[C@H]1O[C@H](OCC=C)[C@@H](O)[C@@H](O)[C@@H]1O
OpenEye OEToolkits 1.5.0C=CCO[C@@H]1[C@H]([C@H]([C@@H]([C@H](O1)[C@H](COC(=O)N)O)O)O)O

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InChI

InChI 1.03InChI=1S/C11H19NO8/c1-2-3-18-10-8(16)6(14)7(15)9(20-10)5(13)4-19-11(12)17/h2,5-10,13-16H,1,3-4H2,(H2,12,17)/t5-,6-,7-,8-,9+,10-/m0/s1

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InChIKey

InChI 1.03JSAVYXHOFSIYSH-UCKHGQTESA-N

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SYSTEMATIC NAME

ACDLabs 10.04prop-2-en-1-yl 7-O-carbamoyl-L-glycero-alpha-D-manno-heptopyranoside
OpenEye OEToolkits 1.5.0[(2S)-2-hydroxy-2-[(2R,3S,4S,5S,6S)-3,4,5-trihydroxy-6-prop-2-enoxy-oxan-2-yl]ethyl] carbamate

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PDB entries

Showing all 1 items

PDB-2rid:
Crystal structure of the trimeric neck and carbohydrate recognition domain of human surfactant protein D in complex with Allyl 7-O-carbamoyl-L-glycero-D-manno-heptopyranoside

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