EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:216375 - Chloroxiamycin

ChEBI IDCHEBI:216375
ChEBI NameChloroxiamycin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC23H24ClNO3
Net Charge0
Average Mass397.902
Monoisotopic Mass397.14447
SMILESC[C@@]1(C(=O)O)[C@@H](O)CC[C@]2(C)c3cc4c(nc5ccccc54)c(Cl)c3CC[C@@H]12
InChIInChI=1S/C23H24ClNO3/c1-22-10-9-18(26)23(2,21(27)28)17(22)8-7-13-15(22)11-14-12-5-3-4-6-16(12)25-20(14)19(13)24/h3-6,11,17-18,25-26H,7-10H2,1-2H3,(H,27,28)/t17-,18+,22-,23+/m1/s1
InChIKeyBICHPFOJNXXLDH-FKKSXTGDSA-N
Species of MetaboliteComponentSourceComments
Streptomycesspecies SCSIO 02999 (ncbitaxon:1194094) - PubMed (25855820)
ChEBI Ontology
Outgoing Relation(s)
Chloroxiamycin (CHEBI:216375) is a hydroxy steroid (CHEBI:35350)
IUPAC Name 
(16R,17S,18S,21S)-12-chloro-18-hydroxy-17,21-dimethyl-10-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1(13),2,4,6,8,11-hexaene-17-carboxylic acid
Manual XrefsDatabases
29215044ChemSpider