This is an old revision of this page, as edited by Beetstra (talk | contribs) at 13:22, 6 December 2011 (Saving copy of the {{chembox}} taken from revid 418865587 of page SAICAR for the Chem/Drugbox validation project (updated: 'ChemSpiderID', 'ChEBI', 'KEGG', 'StdInChI', 'StdInChIKey', 'CASNo').). The present address (URL) is a permanent link to this revision, which may differ significantly from the current revision.
Revision as of 13:22, 6 December 2011 by Beetstra (talk | contribs) (Saving copy of the {{chembox}} taken from revid 418865587 of page SAICAR for the Chem/Drugbox validation project (updated: 'ChemSpiderID', 'ChEBI', 'KEGG', 'StdInChI', 'StdInChIKey', 'CASNo').)(diff) ← Previous revision | Latest revision (diff) | Newer revision → (diff) | This page contains a copy of the infobox ({{chembox}}) taken from revid 418865587 of page SAICAR with values updated to verified values. |
{{Chembox | Verifiedfields = changed | Watchedfields = changed | verifiedrevid = 401045950 | ImageFile = SAICAR.png | ImageFile_Ref = | ImageSize = 244 | ImageName = Stereo structural formula of SAICAR ((2S)-2-formamido, (2R,3R,4S5R)-3,4-dihydroxy-5-oxolan-2-yl) | IUPACName = SAICAR | SystematicName = 2-oxolan-2-yl}-1H-imidazol-4-yl)formamido]butanedioic acid | OtherNames = 2-oxolan-2-yl}imidazol-4-yl)formamido]butanedioic acid | Section1 = ! colspan=2 style="background: #f8eaba; text-align: center;" |Identifiers
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3D model (JSmol)|
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- 141175
- 389419 (2R,3R,4S5R)-3,4-dihydroxy-5-oxolan-2-yl
- 141175 (2S)-2-formamido, (2R,3R,4S5R)-3,4-dihydroxy-5-oxolan-2-yl
- 5290480 (2S)-2-formamido, (2R,3S,4S5R)-3,4-dihydroxy-5-oxolan-2-yl
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PubChem CID|
- 981
- 440498 (2R,3R,4S5R)-3,4-dihydroxy-5-oxolan-2-yl
- 160666 (2S)-2-formamido, (2R,3R,4S5R)-3,4-dihydroxy-5-oxolan-2-yl
- 6914598 (2S)-2-formamido, (2R,3S,4S5R)-3,4-dihydroxy-5-oxolan-2-yl
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| colspan="2" |
InChI- InChI=1S/C13H19N4O12P/c14-10-7(11(22)16-4(13(23)24)1-6(18)19)15-3-17(10)12-9(21)8(20)5(29-12)2-28-30(25,26)27/h3-5,8-9,12,20-21H,1-2,14H2,(H,16,22)(H,18,19)(H,23,24)(H2,25,26,27)/t4-,5+,8+,9+,12+/m0/s1Key: NAQGHJTUZRHGAC-ZZZDFHIKSA-N
- InChI=1/C13H19N4O12P/c14-10-7(11(22)16-4(13(23)24)1-6(18)19)15-3-17(10)12-9(21)8(20)5(29-12)2-28-30(25,26)27/h3-5,8-9,12,20-21H,1-2,14H2,(H,16,22)(H,18,19)(H,23,24)(H2,25,26,27)/t4-,5+,8+,9+,12+/m0/s1/f/h16,18,23,25-26HKey: NAQGHJTUZRHGAC-ZZZDFHIKBX
- InChI=1/C13H19N4O12P/c14-10-7(11(22)16-4(13(23)24)1-6(18)19)15-3-17(10)12-9(21)8(20)5(29-12)2-28-30(25,26)27/h3-5,8-9,12,20-21H,1-2,14H2,(H,16,22)(H,18,19)(H,23,24)(H2,25,26,27)/t4-,5+,8+,9+,12+/m0/s1
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| colspan="2" |
SMILES- NC1=C(N=CN1C1OC(COP(O)(O)=O)C(O)C1O)C(=O)NC(CC(O)=O)C(O)=O
|- | Section2 = ! colspan=2 style="background: #f8eaba; text-align: center;" |Properties
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Chemical formula| C13H19N4O12P
|- | Molar mass
| 454.285 g·mol
|- }}