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CHEBI:223434 - Rubeomycin A1

ChEBI IDCHEBI:223434
ChEBI NameRubeomycin A1
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC33H41NO13
Net Charge0
Average Mass659.685
Monoisotopic Mass659.25779
SMILESCC(=O)[C@]1(O)Cc2c(O)c3c(c(O)c2C(OC2C[C@H](N)[C@H](OC(C[C@H](C)O)OC(C)CO)[C@H](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/t13-,14?,15-,19-,21?,22?,23?,32+,33-/m0/s1
InChIKeyDNHXZQIEIKSDIK-IDXJFLDESA-N
Species of MetaboliteComponentSourceComments
Actinomadura (ncbitaxon:1988) - PubMed (7319927)
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)
Rubeomycin A1 (CHEBI:223434) is a anthracycline (CHEBI:48120)
IUPAC Name 
(9S)-9-acetyl-7-[(4S,5S,6S)-4-amino-5-[(3S)-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
78445726ChemSpider