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Bleomycin A2

Properties

Image

Occurences in reactions

MNX_ID

MNXM1108224

	#reac
in my sandbox	0
in MNXref (generic)	0
in models (compartimentalized)	0

formula

C₅₅H₈₄N₁₇O₂₁S₃

charge

mass

1414.51843

reference

lipidmapsM:LMPK14000006

InChIKey

OYVAGSVQBOHSSS-WXFSZRTFSA-O

InChI

InChI=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

SMILES

Cc1c(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](OC1OC(CO)C(O)C(O)C1OC1OC(CO)C(O)C(OC(N)=O)C1O)c1c[nH]cn1

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Similar chemical compounds in external resources
Identifier	Description
lipidmaps:LMPK14000006 lipidmapsM:LMPK14000006	Bleomycin A2
hmdb:HMDB0014435	Bleomycin (3-{[2-(2-{2-[(2S,3R)-2-[(2S,3S,4R)-4-[(2S,3R)-2-({6-amino-2-[(1S)-1-{[(2S)-2-amino-2-carbamoylethyl]amino}-2-carbamoylethyl]-5-methylpyrimidin-4-yl}formamido)-3-[(3-{[4-(carbamoyloxy)-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl)oxy]-3-(1H-imidazol-5-yl)propanamido]-3-hydroxy-2-methylpentanamido]-3-hydroxybutanamido]ethyl}-1,3-thiazol-4-yl)-1,3-thiazol-4-yl]formamido}propyl)dimethylsulfanium Almirall brand OF bleomycin sulfate BLEOcell BLM Bellon brand OF bleomycin sulfate Bellon, bléomycine Bléomycine bellon Blanoxan Blenoxane Bleo cell Bleo-cell Bleocin Bleolem Bleomicin Bleomicina Bleomycin a(2) Bleomycin a2 Bleomycin b(2) Bleomycin b2 Bleomycin sulfate Bleomycin sulphate Bleomycins Bleomycinum mack Bristol myers squibb brand OF bleomycin sulfate Bristol-myers squibb brand OF bleomycin sulfate Bull brand OF bleomycin sulfate Cell pharm brand OF bleomycin sulfate Lemery brand OF bleomycin sulfate Lundbeck brand OF bleomycin sulfate Mack brand OF bleomycin sulfate Mack, bleomycinum Sulfate, bleomycin bleomycin
hmdb:HMDB14435	secondary/obsolete/fantasy identifier