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This is an old revision of this page, as edited by Beetstra (talk | contribs) at 13:15, 24 November 2011 (Saving copy of the {{chembox}} taken from revid 423709826 of page Myriocin for the Chem/Drugbox validation project (updated: 'ChEBI', '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 13:15, 24 November 2011 by Beetstra (talk | contribs) (Saving copy of the {{chembox}} taken from revid 423709826 of page Myriocin for the Chem/Drugbox validation project (updated: 'ChEBI', 'StdInChI', 'StdInChIKey', 'CASNo').)(diff) ← Previous revision | Latest revision (diff) | Newer revision → (diff)
This page contains a copy of the infobox ({{chembox}}) taken from revid 423709826 of page Myriocin with values updated to verified values.
WikiProject Chemicals/Chembox validation/VerifiedDataSandbox
Myriocin
Names
IUPAC name 2-Amino-3,4-dihydroxy-2-(hydroxymethyl)-14-oxoicos-6-enoic acid
Identifiers
3D model (JSmol)
Beilstein Reference 5113331
ChEBI
ChEMBL
ChemSpider
PubChem CID
RTECS number
  • JX3890000
UN number 2811
InChI
  • InChI=1S/C21H39NO6/c1-2-3-4-10-13-17(24)14-11-8-6-5-7-9-12-15-18(25)19(26)21(22,16-23)20(27)28/h9,12,18-19,23,25-26H,2-8,10-11,13-16,22H2,1H3,(H,27,28)/b12-9+/t18-,19+,21+/m1/s1Key: ZZIKIHCNFWXKDY-GNTQXERDSA-N
  • InChI=1S/C21H39NO6/c1-2-3-4-10-13-17(24)14-11-8-6-5-7-9-12-15-18(25)19(26)21(22,16-23)20(27)28/h9,12,18-19,23,25-26H,2-8,10-11,13-16,22H2,1H3,(H,27,28)/b12-9+/t18-,19+,21+/m1/s1
  • InChI=1S/C21H39NO6/c1-2-3-4-10-13-17(24)14-11-8-6-5-7-9-12-15-18(25)19(26)21(22,16-23)20(27)28/h9,12,18-19,23,25-26H,2-8,10-11,13-16,22H2,1H3,(H,27,28)/b12-9+/t18-,19+,21+/m1/s1Key: ZZIKIHCNFWXKDY-GNTQXERDSA-N
SMILES
  • CCCCCCC(=O)CCCCCCC=CCC(O)C(O)C(N)(CO)C(O)=O
  • O=C(O)(N)((O)(O)C/C=C/CCCCCCC(=O)CCCCCC)CO
Properties
Chemical formula C21H39NO6
Molar mass 401.54 g/mol
Except where otherwise noted, data are given for materials in their standard state (at 25 °C , 100 kPa). Infobox references
Chemical compound