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premithramycin A2'

Properties

Image

Occurences in reactions

MNX_ID

MNXM92602

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

formula

C₃₃H₃₈O₁₅

charge

mass

674.22107

reference

chebi:32047

InChIKey

FANJWAKCIVIYMP-JYVXNHNOSA-N

InChI

InChI=1S/C33H38O15/c1-11(34)23-29(41)30(44-4)17-7-15-5-14-6-16(35)8-18(36)24(14)28(40)25(15)32(43)33(17,31(23)42)48-22-10-20(27(39)13(3)46-22)47-21-9-19(37)26(38)12(2)45-21/h5-6,8,12-13,17,19-22,26-27,30,35-41H,7,9-10H2,1-4H3/t12-,13-,17+,19-,20-,21+,22+,26+,27-,30+,33-/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](O)[C@@H](C)O4)[C@H](O)[C@@H](C)O3)C(=O)c3c(cc4cc(O)cc(O)c4c3O)C[C@@H]12

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:32047 chebi:32047	premithramycin A2' (1S,4aS,12aS)-3-acetyl-2,6,7,9-tetrahydroxy-1-methoxy-4,5-dioxo-1,5,12,12a-tetrahydrotetracen-4a(4H)-yl 2,6-dideoxy-beta-D-lyxo-hexopyranosyl-(1->3)-2,6-dideoxy-beta-D-arabino-hexopyranoside premithramycin A2
kegg.compound:C12385 keggC:C12385	Premithramycin A2'
seed.compound:cpd09138 seedM:cpd09138	Premithramycin A2' premithramycin A2
metacyc.compound:CPD-14347 metacycM:CPD-14347	premithramycin A2
keggC:M_C12385 seedM:M_cpd09138	secondary/obsolete/fantasy identifier