Feedback

5-O-beta-D-mycaminosyltylactone

Properties

Image

Occurences in reactions

MNX_ID

MNXM6932

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

formula

C₃₁H₅₄NO₈

charge

mass

568.38439

reference

chebi:76802

InChIKey

BMKVJAXXBOWJEE-BPFVPZITSA-O

InChI

InChI=1S/C31H53NO8/c1-10-22-15-18(4)23(33)13-12-17(3)14-19(5)25(11-2)39-26(35)16-24(34)20(6)30(22)40-31-29(37)27(32(8)9)28(36)21(7)38-31/h12-14,18-22,24-25,27-31,34,36-37H,10-11,15-16H2,1-9H3/p+1/b13-12+,17-14+/t18-,19+,20+,21-,22+,24-,25-,27+,28-,29-,30-,31+/m1/s1

SMILES

CC[C@H]1C[C@@H](C)C(=O)/C=C/C(C)=C/[C@H](C)[C@@H](CC)OC(=O)C[C@@H](O)[C@H](C)[C@H]1O[C@@H]1O[C@H](C)[C@@H](O)[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:76802 chebi:76802	5-O-beta-D-mycaminosyltylactone (4R,5S,6S,7S,9R,11E,13E,15S,16R)-7,16-diethyl-4-hydroxy-5,9,13,15-tetramethyl-2,10-dioxooxacyclohexadeca-11,13-dien-6-yl 3,6-dideoxy-3-(dimethylazaniumyl)-beta-D-glucopyranoside 5-O-beta-D-mycaminosyltylactone(1+)
kegg.compound:C12001 keggC:C12001	5-O-beta-D-Mycaminosyltylactone
seed.compound:cpd08798 seedM:cpd08798	5-O-beta-D-Mycaminosyltylactone 5-O-beta-mycaminosyltylactone
CHEBI:29491 chebi:29491	5-O-beta-D-mycaminosyltylactone (4R,5S,6S,7S,9R,11E,13E,15S,16R)-7,16-diethyl-4-hydroxy-5,9,13,15-tetramethyl-2,10-dioxooxacyclohexadeca-11,13-dien-6-yl 3,6-dideoxy-3-(dimethylamino)-beta-D-glucopyranoside 20-deoxo-23-deoxy-5-O-(3,6-dideoxy-3-(dimethylamino)-beta-D-glucopyranosyl)-tylonolide 5-Mcpt 5-O-Mycaminosylprotylonolide 5-O-beta-D-Mycaminosyltylactone
metacyc.compound:CPD-15947 metacycM:CPD-15947	5-O-beta-mycaminosyltylactone
keggC:M_C12001 seedM:M_cpd08798	secondary/obsolete/fantasy identifier