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sordaricin(1-)

Go to external page http://purl.obolibrary.org/obo/CHEBI_140232

A 3-oxo monocarboxylic acid anion that is the conjugate base of sordaricin, arising from deprotonation of the carboxy group; major species at pH 7.3.

Term info

Label

sordaricin(1-)

Synonyms
  • (1R,3aR,4S,4aR,7R,7aR,8aS)-4-formyl-8a-(hydroxymethyl)-7-methyl-3-(propan-2-yl)-4,4a,5,6,7,7a,8,8a-octahydro-1,4-methano-s-indacene-3a(1H)-carboxylate
database cross reference
Subsets

3_STAR

IUPAC NAME
(1R,3aR,4S,4aR,7R,7aR,8aS)-4-formyl-8a-(hydroxymethyl)-7-methyl-3-(propan-2-yl)-4,4a,5,6,7,7a,8,8a-octahydro-1,4-methano-s-indacene-3a(1H)-carboxylate [ IUPAC ]

charge

-1

formula

C20H27O4

has obo namespace

chebi_ontology

has related synonym

sordaricin

id

CHEBI:140232

inchi

InChI=1S/C20H28O4/c1-11(2)16-6-13-7-19(10-22)15-5-4-12(3)14(15)8-18(13,9-21)20(16,19)17(23)24/h6,10-15,21H,4-5,7-9H2,1-3H3,(H,23,24)/p-1/t12-,13+,14-,15-,18+,19+,20-/m1/s1

inchikey

QIMCUSGGYZHVEF-VULLPXFTSA-M

mass

331.427

monoisotopicmass

331.19148

smiles

[C@@]12([C@]3([C@](C[C@@]1([C@]4([H])CC[C@H]([C@]4(C3)[H])C)C=O)(C=C2C(C)C)[H])CO)C([O-])=O