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Bleomycin A2

PropertiesImage
MNX_IDMNXM1108224 Image of MNXM1108224
referencelipidmapsM:LMPK14000006
formulaC55H84N17O21S3
global charge1
mol weight1415.576
InChIKeyOYVAGSVQBOHSSS-LFQVDIGYSA-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
SMILESCC1=C(C(=O)N[C@H](C(=O)N[C@H](C)[C@@H](O)[C@H](C)C(=O)N[C@H](C(=O)NCCC2=NC(C3=NC(C(=O)NCCC[S+](C)C)=CS3)=CS2)[C@@H](C)O)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O[C@H]2O[C@H](CO)[C@@H](O)[C@H](OC(N)=O)[C@@H]2O)C2=CNC=N2)N=C([C@H](CC(N)=O)NC[C@H](N)C(N)=O)N=C1N
MNX internals
InChI (mnx)InChI=1/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)/t21-,22+,23+,24-,25-,29+,30+,34-,35-,36-,37+,38+,39-,40-,41-,42-,43-,53+,54-/m0/s1 Image of MNXM1108224
SMILES (mnx)[CH3:1][C:20]1=[C:33]([C:50](=[N:71][C@@H:35]([C@H:41]([C:26]2=[CH:14][N:61]=[CH:19][NH:65]2)[O:91][C@H:54]2[C@@H:43]([O:92][C@@H:53]3[C@@H:40]([OH:81])[C@@H:42]([O:93][C:55](=[NH:60])[O-:88])[C@H:38]([OH:79])[C@@H:30]([CH2:16][OH:74])[O:89]3)[C@@H:39]([OH:80])[C@H:37]([OH:78])[C@@H:29]([CH2:15][OH:73])[O:90]2)[C:51](=[N:66][C@H:22]([CH3:3])[C@H:36]([C@H:21]([CH3:2])[C:47](=[N:70][C@@H:34]([C@@H:23]([CH3:4])[OH:75])[C:49](=[N:63][CH2:10][CH2:8][C:32]2=[N:67][C:28]([C:52]3=[N:68][C:27]([C:48](=[N:62][CH2:9][CH2:7][CH2:11][S+:96]([CH3:5])[CH3:6])[OH:84])=[CH:17][S:95]3)=[CH:18][S:94]2)[OH:85])[OH:83])[OH:77])[OH:87])[OH:86])[N:69]=[C:46]([C@H:25]([CH2:12][C:31](=[NH:57])[OH:76])[NH:64][CH2:13][C@@H:24]([C:45](=[NH:59])[OH:82])[NH2:56])[NH:72][C:44]1=[NH:58]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)0
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

lipidmaps:LMPK14000006
lipidmapsM:LMPK14000006
OYVAGSVQBOHSSS-LFQVDIGYSA-O 		Bleomycin A2
hmdb:HMDB0014435
OYVAGSVQBOHSSS-WXFSZRTFSA-O 		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, bleomycine
Blanoxan
Blenoxane
Bleo cell
Bleo-cell
Bleocin
Bleolem
Bleomicin
Bleomicina
Bleomycin a(2)
Bleomycin a2
Bleomycin b(2)
Bleomycin b2
Bleomycin sulfate
Bleomycin sulphate
Bleomycine bellon
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