Please fill in the following form for a single instance of the carbohydrate structure in a single publication. Fields with names given in bold are obligatory. The record, compound, publication and organism IDs will be assigned automatically. After the automatic check your data will converted to CSDB dump format and emailed to admins for manual check and upload.
| TH: |
Elucidated:
Yes
No
If the structure was elucidated, revised or supposed in this paper, select Yes. If this paper is a review or additional research of the structure that has been elucidated elsewhere, select No. If you don't have this information, leave both unselected. |
AU: |
List of authors, e.g. Einstein A, Schwarzenegger AA.
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| TI: |
Publication title. |
| JN: |
If the journal is missing from the list above, please request adding of the journal using the feedback form
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| PY: |
Publication year. |
| VL: |
vol.
()
Volume number. If the volume exists in several parts, e.g. 36(5), specify the subvolume in the second field |
| PG: |
-
Page numbers. First field is the starting page, second is for the ending page. |
| RL: |
Cross-references to other bibliographic databases, e.g. PMID:12345678,DOI:1234.5678/90
Please use this link to add cross-references (only these resource identifiers are supported):
Resource:
Reference:
Add
For www-links include the prefix (http://, ftp:// etc.) and don't use paid subscription or password-protected URLs. To remove a reference, edit the field itself. |
| EA: |
Email of the corresponding author. |
| AD: |
Institution(s) involved, separated with semicolon(;). No linebreaks are allowed. Please specify, the country and city for each institutions, e.g. N.D. Zelinsky Institute of Organic Chemistry, Russia, Moscow |
| AB: |
Publication abstract. National characters (including Greek letters) are allowed. No linebreaks are allowed. All structures should be either specified in linear form or replaced with the word /structure/. |
| ST1: |
The linearly encoded structure (e.g. -6)[xLLys(2-6)aDGalpA(1-4),Ac(1-2)]bDGalpN(1-3)[Ac(1-2)]bDGalpN(1-). To learn more about structure encoding refer to encoding rules. You can use the structure wizard to input simple structures (oligomers up to four residues, including monovalent substituents) as a starting point for manual edition of this field.
Use this link to launch the wizard: structure wizard
Use this link to re-validate the structure: check structure syntax
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| ST1ORIG: |
If the originally published structure is erroneous, put the revised structure in ST1, and original structure from the publication in ST1ORIG.
Use this link to re-validate the structure: check structure syntax
|
| ST2: |
Select the type of structure. |
| ST3: |
Molecular mass. The molecular mass range is allowed, e.g. 10000-30000. Comments on the type of ion may be given in parentheses, e.g. 9813 (M+). For polymers you can specify the polymerization degree after 'n=', e.g. n=12 |
| SL: |
Structure location inside paper. Free text, such as structure 1, HPLC fraction 2, compound 7a, fig. 3, p.456, etc. |
| AG: |
Aglycon information (what is attached to the reducing end and by which position, if known), e.g. (->6') lipid A or inner core, bDGalpN C6. If the aglycon is a single residue present in monomeric namespace (e.g. Allyl), or aglycon has more than one residues attached to it, encode it in the structure (ST1). Leading parentheses indicate attachment site in the aglycon (e.g. (->3) sapogenin F1). Greek letters, apostrophes and quotes are allowed. |
| MF: |
Molecular formula (for mono- and oligo-saccharides only). Carbons first, then hydrogens, then alphabetically, e.g. C25 H35 N O16 S |
| NMRH: |
1H NMR assignment data
(
E.g., the 1H NMR assignment table for -4)aLFucp(1-P-3)[Ac(1-5)aXNeup(2-6)]bDGlcpN(1- looks like this:
#3,0_aLFucp 5.01 3.80 4.30 4.25 4.70 1.21// #3_P // #6,5_Ac - 2.02// #6_aXNeup - 4.97 2.32-2.38 3.60 3.40 4.40 3.60 3.62 3.50-3.55// #0_bDGlcpN 4.87 3.33 3.85 4.00 4.15 3.80-3.90//.
Use this link to obtain the NMR template for the structure in ST1: generate NMR template
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| NMRC: |
13C NMR assignment data
(
E.g., the 13C NMR assignment table for -4)aLFucp(1-P-3)[Ac(1-5)aXNeup(2-6)]bDGlcpN(1- looks like this:
#3,0_aLFucp 96.5 68.6 71.0 81.9 67.8 15.9// #3_P // #6,5_Ac 175.0 23.0// #6_aXNeup 174.1 107.2 41.0 69.0 52.9 73.9 69.2 72.6 63.6// #0_bDGlcpN 103.0 55.6 78.9 70.9 75.4 67.1// .
Use this link to obtain the NMR template for the structure in ST1: generate NMR template (in the above box)
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| NMRS: |
Solvent used to carry out NMR experiments (chemical formula or abbreviation). Separate mixed solvents with a slash (e.g. CD3OD / D2O), starting from those with greater part. If ratios are known, write it before a solvent: 90%D2O / 10%H2O / 25mM NaCl, or vol 67%CDCl3 / vol 33%DMSO-d6, etc. If a reference standard is not TMS, specify it as another solvent: D2O / DSS. pH value can be appended after a semicolon: D2O; pD 7.5. |
| NMRT: |
Temperature used to carry out NMR experiments, in Kelvins. |
| SO: |
Biological source, without abbreviations. The first word is interpreted as the name of genus, the second is for the name of species, all the other words (from the third on) are combined serogroup and/or strain, e.g. Deliriumus trementii O13 PCM2004a. If the species name is unknown, specify sp. as the second word. If the strain/serogroup is unknown, leave the field without third word. If an organism is a hybrid of two species, separate them with a star (e.g. Solanum acaule * Solanum ajanhuiri). If there are several biological sources, separate them with semicolon.
If a taxon was renamed or the organism was reclassified after the data were published, as well as it has widely used older synonyms, specify them as NEW: newer name or OLD: older name in curly brackets after the organism. The published taxon name should always be outside curly brackets; any number of OLD and/or NEW terms can be combined inside curly brackets, e.g. Enterobacter sakazakii O6 {NEW: Cronobacter sakazakii O6; OLD: Enterobacter sp. O6}.
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| KD: |
, phylum:
Select a taxonomic domain of the organism. If you know the phylum, specify it afterwards. If there are multiple organisms of different phyla, separate phyla with commas. |
| TAX: |
Cross-reference to the NCBI Taxonomy database (NCBI TaxID of the given species and subspecies/strain). If no NCBI TaxID exist for the exact taxon, use a TaxID of the higher rank (e.g. of a genus, if species is missing from NCBI Taxonomy) and parenthesieze it. For hybrid organisms, specify two star-separated taxIDs (e.g. 100*101).
Use this link to retrieve NCBI TaxID for the genera and species from SO:
Retrieve NCBI TaxIDs.
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| HO: |
or other:
The taxonomic name of the host organism in which the microorganism specified in SO field was found. Please provide latin names for the genus and species. |
| OTI: |
Organ or tissue from which the structure was extracted, e.g. cell wall, kidney, lung melanoma etc. . |
| DSS: |
Disease of the host organism associated with the structure, or disease of patient from which the structure was extracted. |
| NC: |
(Trivial) name of compound. Greek letters, apostrophs and quotes are supported. Click to insert:
α
β
γ
δ
ε
Δ |
| CC: |
Comma-separated list of classes and roles of compound, e.g. O-antigen, exopolysaccharide, phosphoglycolipid, GPI-anchor etc. |
| MT: |
Comma-separated methods that were used to elucidate or process the structure. May include: FAB-MS, ESI-MS, MALDI-TOF, methylation, NMR-1D, NMR-2D, 13C NMR, HF solvolysis, partial hydrolysis, Smith degradation, SDS/PAGE, ELISA, DNA sequencing, Western blotting etc. |
| BA: |
Biological activity (free text), including binding information, serological data. If unsure, indicate that these data are present in the paper, e.g. serological data, medical testing phase I, etc. |
| EI: |
Comma-separated list of enzymes that release or process the structure. |
| BG: |
Availability of biosynthesis and genetic data. Put biochemical data or genetic data etc., if these data are presented in the paper. |
| SY: |
Availability of the data on the laboratory or industrial synthesis of this structure. If no synthesis discussed in the paper, leave it as is. |
| KW: |
Comma-separated list of keywords related to the abstract or full paper text. Greek letters, apostrophs and quotes are supported. |
| NT: |
Any comments that do not fit to other fields (e.g. errors found in publications). |
| 3D: |
Availability of 3D-structure and conformation data. Depending on what is in the paper you may include the words conformation data, computer modelling, dynamics etc. |
| RR: |
Related record(s) (CSDB record IDs of other structures from the same paper or other subunits of the same molecule, if they are in the database). Please separate values by commas, do NOT use hyphens for range indication. |
| DB: |
Cross-references to other structural databases, e.g. CA:123456,CA-RN:300-4183,CCSD:12345.
Please use this link to add cross-references to widespread projects:
Database:
Reference:
Add
To remove a cross-reference or add an unlisted project, edit the field itself. |
| U1: |
Submitter name. Put your last name here. |
| U2: |
Current date. Please check that the date (DD.MM.YYYY) is correct. |
| U3: |
RefManID of this paper in N.D. Zelinsky Institute Carbohyd. Chem. Lab local database. If you don't know, leave it blank. |
| U4: |
RefManID(s) of related paper(s) in N.D. Zelinsky Institute Carbohyd. Chem. Lab local database. If you don't know, leave it blank. |
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