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CHEBI:170873 - Annoglacin A

ChEBI IDCHEBI:170873
ChEBI NameAnnoglacin A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC37H68O7
Net Charge0
Average Mass624.944
Monoisotopic Mass624.49650
SMILES[H][C@]1([C@H](O)CCCC[C@H](O)CCCCCCC[C@@H](O)CC2=C[C@H](C)OC2=O)CC[C@]([H])([C@@H](O)CCCCCCCCCCCC)O1
InChIInChI=1S/C37H68O7/c1-3-4-5-6-7-8-9-10-14-17-23-33(40)35-25-26-36(44-35)34(41)24-19-18-21-31(38)20-15-12-11-13-16-22-32(39)28-30-27-29(2)43-37(30)42/h27,29,31-36,38-41H,3-26,28H2,1-2H3/t29-,31+,32+,33-,34+,35+,36+/m0/s1
InChIKeyHVFIEGOJQDOBGC-NDTIKHGFSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606)
HeLa cell (BTO:0000567) MetaboLights (MTBLS78)
Hepa-RG cell (BTO:0005736) MetaboLights (MTBLS78)
HeLa cell;NIH-3T3 cell (BTO:0000944) MetaboLights (MTBLS78)
NIH-3T3 cell (BTO:0000944) MetaboLights (MTBLS78)
Mus musculus (ncbitaxon:10090) Hepa-RG cell (BTO:0005736) MetaboLights (MTBLS78) Strain: C57BL/6J [EFO:0000606]
ChEBI Ontology
Outgoing Relation(s)
Annoglacin A (CHEBI:170873) is a polyketide (CHEBI:26188)
IUPAC Name 
(2S)-2-methyl-4-[(2R,10R,15R)-2,10,15-trihydroxy-15-[(2R,5R)-5-[(1S)-1-hydroxytridecyl]oxolan-2-yl]pentadecyl]-2H-uran-5-one
Manual XrefsDatabases
8637015ChemSpider