Terminology Service for NFDI4Health
JSON

3,7:6,10:9,14-trianhydro-2,5,11,12,13-pentadeoxy-4-O-(methoxymethyl)-L-arabino-L-allo-tetradec-12-enonic acid

Go to external page http://purl.obolibrary.org/obo/CHEBI_49465

An organic heterotricyclic compound comprising a decahydropyrano[2',3':5,6]pyrano[3,2-b]oxepin ring system having hydroxy, methoxymethyl and carboxymethyl substituents.

Term info

Label

3,7:6,10:9,14-trianhydro-2,5,11,12,13-pentadeoxy-4-O-(methoxymethyl)-L-arabino-L-allo-tetradec-12-enonic acid

Synonyms
  • [(2R,3S,4aR,5aS,10aR,11R,11aS)-11-hydroxy-3-(methoxymethoxy)-2,3,4,4a,5a,6,9,10a,11,11a-decahydropyrano[2',3':5,6]pyrano[3,2-b]oxepin-2-yl]acetic acid
database cross reference
Subsets

3_STAR

IUPAC NAME
[(2R,3S,4aR,5aS,10aR,11R,11aS)-11-hydroxy-3-(methoxymethoxy)-2,3,4,4a,5a,6,9,10a,11,11a-decahydropyrano[2',3':5,6]pyrano[3,2-b]oxepin-2-yl]acetic acid [ IUPAC ]

charge

0

formula

C16H24O8

has obo namespace

chebi_ontology

id

CHEBI:49465

inchi

InChI=1S/C16H24O8/c1-20-8-22-10-6-12-16(24-11(10)7-13(17)18)14(19)15-9(23-12)4-2-3-5-21-15/h2-3,9-12,14-16,19H,4-8H2,1H3,(H,17,18)/t9-,10-,11+,12+,14+,15-,16+/m0/s1

inchikey

BUTGPEQQPCQQSZ-RQHZCWAZSA-N

mass

344.35700

monoisotopicmass

344.14712

smiles

[H][C@]12CC=CCO[C@]1([H])[C@@H](O)[C@]1([H])O[C@H](CC(O)=O)[C@H](C[C@@]1([H])O2)OCOC