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CHEBI:221972 - Hapalosin F

ChEBI IDCHEBI:221972
ChEBI NameHapalosin F
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SubmitterMetaboLights
DownloadsMolfile
FormulaC26H39NO6
Net Charge0
Average Mass461.599
Monoisotopic Mass461.27774
SMILESCCCCC[C@H]1OC(=O)C[C@@H](O)[C@H](Cc2ccccc2)N(C)C(=O)[C@H](C(C)C)OC(=O)[C@H]1C
InChIInChI=1S/C26H39NO6/c1-6-7-9-14-22-18(4)26(31)33-24(17(2)3)25(30)27(5)20(21(28)16-23(29)32-22)15-19-12-10-8-11-13-19/h8,10-13,17-18,20-22,24,28H,6-7,9,14-16H2,1-5H3/t18-,20-,21+,22+,24-/m0/s1
InChIKeyBLSCHOWASFDSBC-BIRKEBMYSA-N
Species of MetaboliteComponentSourceComments
Fischerellaspecies PCC 9431 (ncbitaxon:1173023) - PubMed (33599093)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
Hapalosin F (CHEBI:221972) is a 3-hydroxy carboxylic acid (CHEBI:61355)
IUPAC Name 
(2S,5S,6R,10R,11S)-5-benzyl-6-hydroxy-4,11-dimethyl-10-pentyl-2-propan-2-yl-1,9-dioxa-4-azacyclododecane-3,8,12-trione