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CHEBI:202299 - Sorangiolide B

ChEBI IDCHEBI:202299
ChEBI NameSorangiolide B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC34H60O8
Net Charge0
Average Mass596.846
Monoisotopic Mass596.42882
SMILESC/C1=C/C[C@@H](O)[C@@H](C)[C@H](O)C[C@H](O)/C(C)=C\[C@@H](C)CCC[C@H](C)[C@@H]([C@H](C)CCCCC(O)CCCCC(=O)O)OC1=O
InChIInChI=1S/C34H60O8/c1-22-12-11-14-24(3)33(23(2)13-7-8-15-28(35)16-9-10-17-32(39)40)42-34(41)25(4)18-19-29(36)27(6)31(38)21-30(37)26(5)20-22/h18,20,22-24,27-31,33,35-38H,7-17,19,21H2,1-6H3,(H,39,40)/b25-18-,26-20-/t22-,23+,24-,27+,28?,29+,30-,31+,33+/m0/s1
InChIKeyVXRKSYNLMXQRIG-FKDUNVJISA-N
Species of MetaboliteComponentSourceComments
Sorangium cellulosum (ncbitaxon:56) - DOI (10.1002/jlac.1995199505125)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
Sorangiolide B (CHEBI:202299) is a long-chain fatty acid (CHEBI:15904)
IUPAC Name 
(11R)-6-hydroxy-11-[(2R,3S,7S,8Z,10S,12R,13R,14R,16Z)-10,12,14-trihydroxy-3,7,9,13,17-pentamethyl-18-oxo-1-oxacyclooctadeca-8,16-dien-2-yl]dodecanoic acid
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