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neopikromycin

Properties

Image

Occurences in reactions

MNX_ID

MNXM146298

	#reac
in my sandbox	0
in MNXref (generic)	6
in models (compartimentalized)	0

formula

C₂₈H₄₈NO₈

charge

mass

526.33744

reference

chebi:77350

InChIKey

SXXXXTQMWPXIES-VJNSTPMQSA-O

InChI

InChI=1S/C28H47NO8/c1-14-10-11-22(31)15(2)12-16(3)25(37-28-24(33)21(29(8)9)13-17(4)35-28)18(5)23(32)19(6)27(34)36-26(14)20(7)30/h10-11,14-21,24-26,28,30,33H,12-13H2,1-9H3/p+1/b11-10+/t14-,15-,16+,17-,18+,19-,20-,21+,24-,25+,26+,28+/m1/s1

SMILES

C[C@H]1C[C@@H](C)C(=O)/C=C/[C@@H](C)[C@@H]([C@@H](C)O)OC(=O)[C@H](C)C(=O)[C@H](C)[C@H]1O[C@@H]1O[C@H](C)C[C@H]([NH+](C)C)[C@H]1O

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:77350 chebi:77350	neopikromycin (3R,5R,6S,7S,9R,11E,13R,14S)-14-[(1R)-1-hydroxyethyl]-3,5,7,9,13-pentamethyl-2,4,10-trioxo-1-oxacyclotetradec-11-en-6-yl 3,4,6-trideoxy-3-(dimethylazaniumyl)-beta-D-xylo-hexopyranoside neopikromycin(1+)
kegg.compound:C20739 keggC:C20739	Neopikromycin
seed.compound:cpd31312 seedM:cpd31312	Neopikromycin neopicromycin neopikromycin
CHEBI:85614 chebi:85614	neopikromycin (3R,5R,6S,7S,9R,11E,13R,14S)-14-[(1R)-1-hydroxyethyl]-3,5,7,9,13-pentamethyl-2,4,10-trioxo-1-oxacyclotetradec-11-en-6-yl 3,4,6-trideoxy-3-(dimethylamino)-beta-D-xylo-hexopyranoside
metacyc.compound:CPD-15997 metacycM:CPD-15997	neopikromycin neopicromycin
keggC:M_C20739 seedM:M_cpd31312	secondary/obsolete/fantasy identifier