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CHEBI:225243 - Bleomycin A2'-C

ChEBI IDCHEBI:225243
ChEBI NameBleomycin A2'-C
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SubmitterMetaboLights
DownloadsMolfile
FormulaC55H79N19O21S2
Net Charge0
Average Mass1406.483
Monoisotopic Mass1405.51393
SMILESCc1c(N)nc([C@@H](CC(N)=O)NC[C@@H](N)C(N)=O)nc1C(=O)N[C@@H](C(=O)N[C@@H](C)[C@@H](O)[C@H](C)C(=O)N[C@H](C(=O)NCCc1nc(-c2nc(C(=O)NCCc3cncn3)cs2)cs1)[C@@H](C)O)[C@@H](O[C@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O[C@@H]1O[C@@H](CO)[C@H](O)[C@@H](OC(N)=O)[C@@H]1O)c1cncn1
InChIInChI=1S/C55H79N19O21S2/c1-19-33(71-46(74-44(19)58)25(9-31(57)78)65-11-24(56)45(59)84)50(88)73-35(41(26-12-62-18-67-26)93-54-43(39(82)37(80)29(13-75)92-54)94-53-40(83)42(95-55(60)90)38(81)30(14-76)91-53)51(89)68-21(3)36(79)20(2)47(85)72-34(22(4)77)49(87)64-8-6-32-69-28(16-96-32)52-70-27(15-97-52)48(86)63-7-5-23-10-61-17-66-23/h10,12,15-18,20-22,24-25,29-30,34-43,53-54,65,75-77,79-83H,5-9,11,13-14,56H2,1-4H3,(H2,57,78)(H2,59,84)(H2,60,90)(H,61,66)(H,62,67)(H,63,86)(H,64,87)(H,68,89)(H,72,85)(H,73,88)(H2,58,71,74)/t20-,21-,22+,24+,25+,29+,30-,34-,35+,36-,37-,38-,39+,40-,41-,42+,43-,53-,54+/m0/s1
InChIKeyXONNZOVMPIEEMM-WJSXNDPGSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (4131335)
ChEBI Ontology
Outgoing Relation(s)
Bleomycin A2'-C (CHEBI:225243) is a glycoside (CHEBI:24400)
IUPAC Name 
[(2S,3S,4R,5S,6S)-2-[(2S,3S,4R,5R,6R)-2-[(1R,2R)-2-[[6-amino-2-[(1R)-3-amino-1-[[(2R)-2,3-diamino-3-oxopropyl]amino]-3-oxopropyl]-5-methylpyrimidine-4-carbonyl]amino]-3-[[(2S,3S,4S)-3-hydroxy-5-[[(2S,3R)-3-hydroxy-1-[2-[4-[4-[2-(1H-imidazol-5-yl)ethylcarbamoyl]-1,3-thiazol-2-yl]-1,3-thiazol-2-yl]ethylamino]-1-oxobutan-2-yl]amino]-4-methyl-5-oxopentan-2-yl]amino]-1-(1H-imidazol-5-yl)-3-oxopropoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl] carbamate
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