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Premithramycin A3

MNXM12739 is deprecated and here replaced by MNXM727729
!!! Alternative mappings exist !!!

Properties

Image

Occurences in reactions

MNX_ID

MNXM727729

	#reac
in my sandbox	0
in MNXref (generic)	3
in models (compartimentalized)	0

formula

C₄₁H₅₂O₁₈

charge

mass

832.31536

reference

chebi:32048

InChIKey

CPBYUTXQMSKGLY-JUEXJKKASA-N

InChI

InChI=1S/C41H52O18/c1-14-22(43)10-20-8-19-9-21-36(53-7)35(48)28(15(2)42)38(50)41(21,39(51)30(19)34(47)29(20)31(14)44)59-26-12-24(33(46)17(4)55-26)57-25-11-23(32(45)16(3)54-25)58-27-13-40(6,52)37(49)18(5)56-27/h8,10,16-18,21,23-27,32-33,36-37,43-49,52H,9,11-13H2,1-7H3/t16-,17-,18-,21+,23-,24-,25+,26+,27+,32+,33-,36+,37-,40+,41-/m1/s1

SMILES

CO[C@@H]1C(O)=C(C(C)=O)C(=O)[C@@]2(O[C@H]3C[C@@H](O[C@H]4C[C@@H](O[C@H]5C[C@](C)(O)[C@H](O)[C@@H](C)O5)[C@@H](O)[C@@H](C)O4)[C@H](O)[C@@H](C)O3)C(=O)c3c(cc4cc(O)c(C)c(O)c4c3O)C[C@@H]12

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
sabiork.compound:14419 sabiorkM:14419 CHEBI:32048 chebi:32048 kegg.compound:C12387 keggC:C12387	Premithramycin A3
seed.compound:cpd19114 seedM:cpd19114	Premithramycin A3 premithramycin A3
metacyc.compound:CPD-14349 metacycM:CPD-14349	premithramycin A3
keggC:M_C12387 seedM:M_cpd19114	secondary/obsolete/fantasy identifier