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CHEBI:222676 - Gageomacrolactin 3

ChEBI IDCHEBI:222676
ChEBI NameGageomacrolactin 3
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC30H46O10
Net Charge0
Average Mass566.688
Monoisotopic Mass566.30910
SMILESC[C@@H]1CCCCC/C=C/[C@H](O)C[C@@H](O)C/C=C\C=C\[C@@H](O[C@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)C/C=C/C=C\C(=O)O1
InChIInChI=1S/C30H46O10/c1-21-13-7-3-2-4-8-14-22(32)19-23(33)15-9-5-10-16-24(17-11-6-12-18-26(34)38-21)39-30-29(37)28(36)27(35)25(20-31)40-30/h5-6,8-12,14,16,18,21-25,27-33,35-37H,2-4,7,13,15,17,19-20H2,1H3/b9-5-,11-6+,14-8+,16-10+,18-12-/t21-,22+,23+,24-,25+,27+,28-,29+,30+/m1/s1
InChIKeyHUEUKSNRFPKEMR-VSIUFNMPSA-N
Species of MetaboliteComponentSourceComments
Bacillus (ncbitaxon:1386) - PubMed (23488669)
ChEBI Ontology
Outgoing Relation(s)
Gageomacrolactin 3 (CHEBI:222676) is a macrolide (CHEBI:25106)
IUPAC Name 
(3Z,5E,8S,9E,11Z,14S,16R,17E,24R)-14,16-dihydroxy-24-methyl-8-[(2S,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1-oxacyclotetracosa-3,5,9,11,17-pentaen-2-one
Manual XrefsDatabases
31112947ChemSpider