EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:204220 - Ananstrep B

ChEBI IDCHEBI:204220
ChEBI NameAnanstrep B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC28H46O5
Net Charge0
Average Mass462.671
Monoisotopic Mass462.33452
SMILESC[C@H](/C=C/[C@H](C)C(C)(C)O)[C@H]1CC[C@H]2C3=C[C@@H](O)[C@@]4(O)C[C@@H](O)CC[C@]4(C)[C@@]3(O)CC[C@]12C
InChIInChI=1S/C28H46O5/c1-17(7-8-18(2)24(3,4)31)20-9-10-21-22-15-23(30)28(33)16-19(29)11-12-26(28,6)27(22,32)14-13-25(20,21)5/h7-8,15,17-21,23,29-33H,9-14,16H2,1-6H3/b8-7+/t17-,18+,19+,20-,21+,23-,25-,26-,27-,28+/m1/s1
InChIKeyGVBUWUSEFGIKOJ-FJCNBWGWSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (27153073)
ChEBI Ontology
Outgoing Relation(s)
Ananstrep B (CHEBI:204220) is a ergostanoid (CHEBI:50403)
IUPAC Name 
(3S,5R,6R,9R,10R,13R,14R,17R)-17-[(E,2R,5S)-6-hydroxy-5,6-dimethylhept-3-en-2-yl]-10,13-dimethyl-2,3,4,6,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene-3,5,6,9-tetrol
Manual XrefsDatabases
78440982ChemSpider