EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:198565 - Alchivemycin A

ChEBI IDCHEBI:198565
ChEBI NameAlchivemycin A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC35H53NO10
Net Charge0
Average Mass647.806
Monoisotopic Mass647.36695
SMILESCC=C(C)[C@H](O)[C@H](O)[C@H]1[C@@H](O)[C@H](O)[C@@H](C)CCCC[C@@H]2O[C@@]2(C)[C@H]2[C@@H]3O[C@@H]3[C@H]3C[C@@H](C)C[C@@H](C)[C@H]3[C@@H]2C(O)=C2C(=O)CN1OC2=O
InChIInChI=1S/C35H53NO10/c1-7-16(3)27(38)30(41)26-31(42)28(39)17(4)10-8-9-11-21-35(6,45-21)25-24(29(40)23-20(37)14-36(26)46-34(23)43)22-18(5)12-15(2)13-19(22)32-33(25)44-32/h7,15,17-19,21-22,24-28,30-33,38-42H,8-14H2,1-6H3/t15-,17-,18+,19-,21-,22+,24-,25+,26-,27-,28+,30+,31+,32+,33-,35+/m0/s1
InChIKeyWRAVXSOFTDSTQL-AXJSPUEBSA-N
Species of MetaboliteComponentSourceComments
Streptomycesspecies (ncbitaxon:1931) - PubMed (20670006)
ChEBI Ontology
Outgoing Relation(s)
Alchivemycin A (CHEBI:198565) is a oxacycle (CHEBI:38104)
IUPAC Name 
(3S,4R,5R,7S,9S,10R,12S,13R,14S,16S,21S,22R,23R,24R)-24-[(1R,2S)-1,2-dihydroxy-3-methylpent-3-enyl]-2,22,23-trihydroxy-5,7,14,21-tetramethyl-11,15,26-trioxa-25-azahexacyclo[23.2.2.03,13.04,9.010,12.014,16]nonacos-1-ene-27,28-dione