Feedback

beta-D-Glucosyloxydestruxin B

Properties

Image

Occurences in reactions

MNX_ID

MNXM119726

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

formula

C₃₆H₆₁N₅O₁₃

charge

mass

771.42659

reference

chebi:169355

InChIKey

XPPQPHQJYKEZRT-UHFFFAOYSA-N

InChI

InChI=1S/C36H61N5O13/c1-10-19(4)25-33(50)40(9)26(18(2)3)34(51)39(8)20(5)30(47)37-14-13-24(43)52-22(32(49)41-15-11-12-21(41)31(48)38-25)16-36(6,7)54-35-29(46)28(45)27(44)23(17-42)53-35/h18-23,25-29,35,42,44-46H,10-17H2,1-9H3,(H,37,47)(H,38,48)

SMILES

CCC(C)C1NC(=O)C2CCCN2C(=O)C(CC(C)(C)OC2OC(CO)C(O)C(O)C2O)OC(=O)CCNC(=O)C(C)N(C)C(=O)C(C(C)C)N(C)C1=O

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:169355 chebi:169355	beta-D-Glucosyloxydestruxin B 16-butan-2-yl-10,11,14-trimethyl-3-[2-methyl-2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropyl]-13-propan-2-yl-4-oxa-1,8,11,14,17-pentazabicyclo[17.3.0]docosane-2,5,9,12,15,18-hexone
hmdb:HMDB0040136	beta-D-Glucosyloxydestruxin B 3-(butan-2-yl)-5,8,9-trimethyl-16-(2-methyl-2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}propyl)-6-(propan-2-yl)-icosahydropyrrolo[1,2-d]1-oxa-4,7,10,13,16-pentaazacyclononadecane-1,4,7,10,14,17-hexone 6-isopropyl-5,8,9-trimethyl-16-(2-methyl-2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}propyl)-3-(sec-butyl)-dodecahydropyrrolo[1,2-d]1-oxa-4,7,10,13,16-pentaazacyclononadecane-1,4,7,10,14,17-hexone b-D-Glucosyloxydestruxin b beta-D-glucosyloxydestruxin b
hmdb:HMDB40136	secondary/obsolete/fantasy identifier