EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:222414 - Ansalactam A

ChEBI IDCHEBI:222414
ChEBI NameAnsalactam A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC33H39NO6
Net Charge0
Average Mass545.676
Monoisotopic Mass545.27774
SMILESCC1=C/[C@@H](C)/C=C(\C)C(=O)[C@H](C)[C@@H]2[C@@H](CC(C)C)C(=O)N[C@@]23CC(=O)c2c(cc(C)c(O)c2C(=O)/C(C)=C/1)C3=O
InChIInChI=1S/C33H39NO6/c1-15(2)9-23-27-21(8)28(36)18(5)11-16(3)10-17(4)12-19(6)29(37)26-25-22(13-20(7)30(26)38)31(39)33(27,14-24(25)35)34-32(23)40/h10-13,15-16,21,23,27,38H,9,14H2,1-8H3,(H,34,40)/b17-10-,18-11+,19-12+/t16-,21-,23-,27-,33+/m1/s1
InChIKeyDQIBALILJIXVPY-MXWVZCSESA-N
Species of MetaboliteComponentSourceComments
Streptomycesspecies (ncbitaxon:1931) - PubMed (21247149)
ChEBI Ontology
Outgoing Relation(s)
Ansalactam A (CHEBI:222414) is a naphthoquinone (CHEBI:25481)
IUPAC Name 
(1S,4R,5R,6R,8E,10R,11Z,13E)-17-hydroxy-6,8,10,12,14,18-hexamethyl-4-(2-methylpropyl)-2-azatetracyclo[18.3.1.01,5.016,21]tetracosa-8,11,13,16,18,20-hexaene-3,7,15,22,24-pentone
Manual XrefsDatabases
27025459ChemSpider