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CHEBI:225248 - Bleomycin A2'-A

ChEBI IDCHEBI:225248
ChEBI NameBleomycin A2'-A
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SubmitterMetaboLights
DownloadsMolfile
FormulaC54H82N18O21S2
Net Charge0
Average Mass1383.489
Monoisotopic Mass1382.53433
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)NCCCCN)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/C54H82N18O21S2/c1-19-32(69-45(72-43(19)58)24(11-30(57)76)64-12-23(56)44(59)82)49(86)71-34(40(25-13-61-18-65-25)91-53-42(38(80)36(78)28(14-73)90-53)92-52-39(81)41(93-54(60)88)37(79)29(15-74)89-52)50(87)66-21(3)35(77)20(2)46(83)70-33(22(4)75)48(85)63-10-7-31-67-27(17-94-31)51-68-26(16-95-51)47(84)62-9-6-5-8-55/h13,16-18,20-24,28-29,33-42,52-53,64,73-75,77-81H,5-12,14-15,55-56H2,1-4H3,(H2,57,76)(H2,59,82)(H2,60,88)(H,61,65)(H,62,84)(H,63,85)(H,66,87)(H,70,83)(H,71,86)(H2,58,69,72)/t20-,21+,22+,23-,24+,28+,29-,33-,34+,35+,36-,37-,38-,39-,40-,41-,42-,52+,53+/m1/s1
InChIKeyHRWUAXHZSYGTMF-MNDGTESASA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (4131335)
ChEBI Ontology
Outgoing Relation(s)
Bleomycin A2'-A (CHEBI:225248) is a glycoside (CHEBI:24400)
IUPAC Name 
[(2S,3R,4R,5R,6R)-2-[(2R,3R,4R,5S,6S)-2-[(1S,2S)-2-[[6-amino-2-[(1S)-3-amino-1-[[(2R)-2,3-diamino-3-oxopropyl]amino]-3-oxopropyl]-5-methylpyrimidine-4-carbonyl]amino]-3-[[(2S,3S,4R)-5-[[(2R,3S)-1-[2-[4-[4-(4-aminobutylcarbamoyl)-1,3-thiazol-2-yl]-1,3-thiazol-2-yl]ethylamino]-3-hydroxy-1-oxobutan-2-yl]amino]-3-hydroxy-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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