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CHEBI:132927 - (+)-pentacycloanammoxic acid

ChEBI IDCHEBI:132927
ChEBI Name(+)-pentacycloanammoxic acid
Stars
DefinitionA carbocyclic fatty acid consisting of octanoic acid which is terminally substituted by five fused cyclobutane-rings ([5]-ladderane). Ladderane fatty acids can be found in anammox bacteria.
Last Modified28 February 2018
Submittermbuss
DownloadsMolfile
FormulaC20H30O2
Net Charge0
Average Mass302.458
Monoisotopic Mass302.22458
SMILES[H][C@]12CC[C@@]1([H])[C@@]1([H])[C@]2([H])[C@]2([H])[C@@]3([H])C[C@H](CCCCCCCC(=O)O)[C@@]3([H])[C@@]21[H]
InChIInChI=1S/C20H30O2/c21-15(22)7-5-3-1-2-4-6-11-10-14-16(11)20-18-13-9-8-12(13)17(18)19(14)20/h11-14,16-20H,1-10H2,(H,21,22)/t11-,12-,13+,14-,16+,17+,18-,19-,20+/m0/s1
InChIKeyZKKJRZDMLYQUNK-QIPWGTBCSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
(+)-pentacycloanammoxic acid (CHEBI:132927) has functional parent octanoic acid (CHEBI:28837)
(+)-pentacycloanammoxic acid (CHEBI:132927) is a carbocyclic fatty acid (CHEBI:35744)
(+)-pentacycloanammoxic acid (CHEBI:132927) is a ladderane (CHEBI:85034)
(+)-pentacycloanammoxic acid (CHEBI:132927) is a saturated fatty acid (CHEBI:26607)
Incoming Relation(s)
methyl (+)-pentacycloanammoxate (CHEBI:132928) has functional parent (+)-pentacycloanammoxic acid (CHEBI:132927)
IUPAC Name 
8-[(1S,2R,3R,4S,6S,7S,8S,9S,12R)-pentacyclo[6.4.0.02,7.03,6.09,12]dodecan-4-yl]octanoic acid
Synonym  Source
8-[5]-ladderane-octanoic acidLIPID MAPS
Manual XrefsDatabases
8147776ChemSpider
9972184PubChem Compound
LMFA01140004LIPID MAPS
Citations