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bleomycin A2

PropertiesImageOccurences in reactions
MNX_IDMNXM1108223Image of MNXM1108223
#reac
in my sandbox 0
in MNXref (generic)2
in models (compartimentalized) 0
formulaC55H84N17O21S3
charge1
mass1414.51843
referencechebi:3139
InChIKeyOYVAGSVQBOHSSS-UAPAGMARSA-O
InChIInChI=1S/C55H83N17O21S3/c1-20-33(69-46(72-44(20)58)25(12-31(57)76)64-13-24(56)45(59)82)50(86)71-35(41(26-14-61-19-65-26)91-54-43(39(80)37(78)29(15-73)90-54)92-53-40(81)42(93-55(60)88)38(79)30(16-74)89-53)51(87)66-22(3)36(77)21(2)47(83)70-34(23(4)75)49(85)63-10-8-32-67-28(18-94-32)52-68-27(17-95-52)48(84)62-9-7-11-96(5)6/h14,17-19,21-25,29-30,34-43,53-54,64,73-75,77-81H,7-13,15-16,56H2,1-6H3,(H13-,57,58,59,60,61,62,63,65,66,69,70,71,72,76,82,83,84,85,86,87,88)/p+1/t21-,22+,23+,24-,25-,29-,30+,34-,35-,36-,37+,38+,39-,40-,41-,42-,43-,53+,54-/m0/s1
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)NCCC[S+](C)C)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)c1c[nH]cn1
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Similar chemical compounds in external resources
IdentifierDescription
CHEBI:3139
chebi:3139
bleomycin A2
(betaR)-N(alpha)-{[6-amino-2-((1S)-3-amino-1-{[(2S)-2,3-diamino-3-oxopropyl]amino}-3-oxopropyl)-5-methylpyrimidin-4-yl]carbonyl}-beta-{2-O-[3-O-(aminocarbonyl)-alpha-D-mannopyranosyl]-alpha-L-gulopyranosyloxy}-N-[(1R,2S,3S)-5-({(1S,2R)-1-[({2-[4-({[3-(dimethylsulfonio)propyl]amino}carbonyl)-2,4'-bi-1,3-thiazol-2'-yl]ethyl}amino)carbonyl]-2-hydroxypropyl}amino)-3-hydroxy-4-methyl-5-oxopentan-2-yl]-L-histidinamide
BLEOMYCIN A2
Bleomycin
Bleomycin A2
N(1)-[3-(dimethylsulfonio)propyl]bleomycinamide
kegg.compound:C06854
keggC:C06854
Bleomycin A2
seed.compound:cpd04210
seedM:cpd04210
Bleomycin A2
bleomycin A2
metacyc.compound:CPD-13136
metacycM:CPD-13136
bleomycin A2
chebi:165316
chebi:357107
chebi:41102
chebi:653800
keggC:M_C06854
seedM:M_cpd04210
secondary/obsolete/fantasy identifier