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CHEBI:221448 - Avidinorubicin

ChEBI IDCHEBI:221448
ChEBI NameAvidinorubicin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC60H86N4O22
Net Charge0
Average Mass1215.354
Monoisotopic Mass1214.57337
SMILESCO[C@@H]1C[C@@H](O[C@H]2[C@@H](C)O[C@@H](O[C@H]3[C@@H](C)O[C@@H](O[C@@H]4[C@@H](N(C)C)[C@@H](O)[C@H]5Oc6c(ccc7c6C(=O)c6c(O)c8c(c(O)c6C7=O)[C@@H](O[C@H]6C[C@@H](N(C)C)[C@H](O)[C@@H](C)O6)C[C@](C)(O)C8)[C@]4(C)O5)C[C@]3(C)N)C[C@]2(C)N)O[C@@H](C)[C@H]1OC(=O)CCC(=O)O
InChIInChI=1S/C60H86N4O22/c1-24-45(68)31(63(9)10)18-36(76-24)80-33-21-57(5,74)20-29-40(33)48(71)42-43(47(29)70)49(72)41-28(46(42)69)14-15-30-52(41)85-56-50(73)44(64(11)12)55(60(30,8)86-56)84-39-23-59(7,62)54(27(4)79-39)83-38-22-58(6,61)53(26(3)78-38)82-37-19-32(75-13)51(25(2)77-37)81-35(67)17-16-34(65)66/h14-15,24-27,31-33,36-39,44-45,50-51,53-56,68,70-71,73-74H,16-23,61-62H2,1-13H3,(H,65,66)/t24-,25+,26-,27-,31-,32-,33+,36+,37-,38+,39+,44+,45-,50-,51-,53+,54+,55-,56+,57-,58+,59+,60+/m1/s1
InChIKeyXMRHMVSZMLOUMS-WCRFGKPLSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (2071489)
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)
Avidinorubicin (CHEBI:221448) is a anthracycline (CHEBI:48120)
IUPAC Name 
4-[(2S,3R,4R,6R)-6-[(2R,3R,4S,6S)-4-amino-6-[(2R,3R,4S,6S)-4-amino-6-[[(1S,10S,12R,21S,22R,23S,24R)-23-(dimethylamino)-10-[(2R,4R,5S,6R)-4-(dimethylamino)-5-hydroxy-6-methyloxan-2-yl]oxy-8,12,15,22-tetrahydroxy-1,12-dimethyl-6,17-dioxo-20,25-dioxahexacyclo[19.3.1.02,19.05,18.07,16.09,14]pentacosa-2(19),3,5(18),7,9(14),15-hexaen-24-yl]oxy]-2,4-dimethyloxan-3-yl]oxy-2,4-dimethyloxan-3-yl]oxy-4-methoxy-2-methyloxan-3-yl]oxy-4-oxobutanoic acid
Manual XrefsDatabases
78442922ChemSpider