EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:231240 - Carminomycin II

ChEBI IDCHEBI:231240
ChEBI NameCarminomycin II
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC33H41NO13
Net Charge0
Average Mass659.685
Monoisotopic Mass659.25779
SMILESCC(=O)C1(O)Cc2c(O)c3c(c(O)c2C(OC2CC(N)C(OC(CC(C)O)OC(C)CO)C(C)O2)C1)C(=O)c1c(O)cccc1C3=O
InChIInChI=1S/C33H41NO13/c1-13(36)8-22(44-14(2)12-35)47-32-15(3)45-23(9-19(32)34)46-21-11-33(43,16(4)37)10-18-25(21)31(42)27-26(29(18)40)28(39)17-6-5-7-20(38)24(17)30(27)41/h5-7,13-15,19,21-23,32,35-36,38,40,42-43H,8-12,34H2,1-4H3
InChIKeyDNHXZQIEIKSDIK-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS9100)
Roles Classification
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
Carminomycin II (CHEBI:231240) is a anthracycline (CHEBI:48120)
IUPAC Name 
9-acetyl-7-[4-amino-5-[3-hydroxy-1-(1-hydroxypropan-2-yloxy)butoxy]-6-methyloxan-2-yl]oxy-4,6,9,11-tetrahydroxy-8,10-dihydro-7H-tetracene-5,12-dione
Manual XrefsDatabases
HMDB0249683HMDB
138156ChemSpider