(Q26998364)

CC1=C(N=C(N=C1N)C(CC(=O)N)NCC(C(=O)N)N)C(=O)NC(C(C2=CN=CN2)OC3C(C(C(C(O3)CO)O)O)OC4C(C(C(C(O4)CO)O)OC(=O)N)O)C(=O)NC(C)C(C(C)C(=O)NC(C(C)O)C(=O)NCCC5=NC(=CS5)C6=NC(=CS6)C(=O)NCCC[S+](C)C)O

1 reference

stated in

PubChem

24 September 2016

https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/cid/456190/property/InChI,InChIKey,CanonicalSMILES/JSON

1 reference

24 September 2016

http://identifiers.org/wikipathways/WP1984_r82941

Identifiers

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

1 reference

based on heuristic

inferred from SMILES

InChIKey

OYVAGSVQBOHSSS-QRQYLRPSSA-O

1 reference

24 September 2016

https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/cid/456190/property/InChI,InChIKey,CanonicalSMILES/JSON

1 reference

24 September 2016

http://identifiers.org/wikipathways/WP1984_r82941

1 reference

0 references

(Q26998364)

bleomycin A2 (incomplete stereochemistry)

Statements

Identifiers

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