LIPID MAPS

Common Name

Bleomycin A2

Systematic Name

Synonyms

LM ID

LMPK14000006

Status

Active

Exact Mass

Calculate m/z

1414.518989

Formula

C₅₅H₈₄N₁₇O₂₁S₃

Show lipids differing only in stereochemistry/bond geometry

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MDLMOL SDF CSV TSV

MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".

Classification

String Representations

InChiKey (Click to copy)

OYVAGSVQBOHSSS-LFQVDIGYSA-O

InChi (Click to copy)

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 (Click to copy)

[C@](C1N=CNC=1)(O[C@H]1[C@@H](O[C@@H]2[C@@H](O)[C@@H](OC(N)=O)[C@H](O)[C@@H](CO)O2)[C@@H](O)[C@H](O)[C@@H](CO)O1)([C@@]([H])(C(=O)N[C@]([H])(C)[C@@H](O)[C@H](C)C(=O)N[C@@]([H])([C@]([H])(O)C)C(=O)NCCC1SC=C(C2SC=C(C(=O)NCCC[S+](C)C)N=2)N=1)NC(=O)C1C(C)=C(N=C([C@H](CC(=O)N)NC[C@H](N)C(=O)N)N=1)N)[H]