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CHEBI:145790 - mupirocin(1−)

ChEBI IDCHEBI:145790
ChEBI Namemupirocin(1−)
Stars
ASCII Namemupirocin(1-)
DefinitionA monocarboxylic acid anion that is the conjugate base of mupirocin obtained by the deprotonation of the carboxy group; major microspecies at pH 7.3.
Last Modified17 January 2020
SubmitterAdnan
DownloadsMolfile
FormulaC26H43O9
Net Charge-1
Average Mass499.621
Monoisotopic Mass499.29126
SMILES[H][C@@]1([C@@H](C)[C@H](C)O)O[C@@]1([H])C[C@H]1CO[C@@H](C/C(C)=C/C(=O)OCCCCCCCCC(=O)[O-])[C@H](O)[C@@H]1O
InChIInChI=1S/C26H44O9/c1-16(13-23(30)33-11-9-7-5-4-6-8-10-22(28)29)12-20-25(32)24(31)19(15-34-20)14-21-26(35-21)17(2)18(3)27/h13,17-21,24-27,31-32H,4-12,14-15H2,1-3H3,(H,28,29)/p-1/b16-13+/t17-,18-,19-,20-,21-,24+,25-,26-/m0/s1
InChIKeyMINDHVHHQZYEEK-HBBNESRFSA-M
ChEBI Ontology
Outgoing Relation(s)
mupirocin(1−) (CHEBI:145790) is a monocarboxylic acid anion (CHEBI:35757)
mupirocin(1−) (CHEBI:145790) is conjugate base of mupirocin (CHEBI:7025)
Incoming Relation(s)
mupirocin calcium (anhydrous) (CHEBI:145818) has part mupirocin(1−) (CHEBI:145790)
mupirocin (CHEBI:7025) is conjugate acid of mupirocin(1−) (CHEBI:145790)
IUPAC Name 
9-({(2E)-4-[(2S,3R,4R,5S)-3,4-dihydroxy-5-({(2S,3S)-3-[(2S,3S)-3-hydroxybutan-2-yl]oxiran-2-yl}methyl)tetrahydro-2H-pyran-2-yl]-3-methylbut-2-enoyl}oxy)nonanoate