LIPID MAPS

Common Name

Bleomycin B2

Systematic Name

Synonyms

LM ID

LMPK14000002

Status

Active

Exact Mass

Calculate m/z

1423.56089

Formula

C₅₆H₈₅N₁₉O₂₁S₂

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)

LKWPPRDGDUYPLU-HDQPWOKTSA-N

InChi (Click to copy)

InChI=1S/C56H85N19O21S2/c1-20-34(72-47(75-45(20)59)26(12-32(58)80)67-13-25(57)46(60)86)51(90)74-36(42(27-14-63-19-68-27)95-55-44(40(84)38(82)30(15-76)94-55)96-54-41(85)43(92-24(5)79)39(83)31(16-77)93-54)52(91)69-22(3)37(81)21(2)48(87)73-35(23(4)78)50(89)65-11-8-33-70-29(18-97-33)53-71-28(17-98-53)49(88)64-9-6-7-10-66-56(61)62/h14,17-19,21-23,25-26,30-31,35-44,54-55,67,76-78,81-85H,6-13,15-16,57H2,1-5H3,(H2,58,80)(H2,60,86)(H,63,68)(H,64,88)(H,65,89)(H,69,91)(H,73,87)(H,74,90)(H2,59,72,75)(H4,61,62,66)/t21-,22+,23+,25-,26-,30+,31+,35-,36-,37-,38+,39+,40-,41-,42-,43-,44-,54+,55-/m0/s1

SMILES (Click to copy)

[C@]([H])(O[C@H]1[C@@H](O[C@@H]2[C@@H](O)[C@@H](OC(C)=O)[C@H](O)[C@@H](CO)O2)[C@@H](O)[C@H](O)[C@@H](CO)O1)(C1N=CNC=1)[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)NCCCCNC(=N)N)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