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5-O-beta-D-mycaminosyltylactone

PropertiesImage
MNX_IDMNXM6932 Image of MNXM6932
referencechebi:76802
formulaC31H54NO8
global charge1
mol weight568.772
InChIKeyBMKVJAXXBOWJEE-BPFVPZITSA-O
InChIInChI=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
SMILESCC[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
MNX internals
InChI (mnx)InChI=1/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/b13-12+,17-14+/t18-,19+,20+,21-,22+,24-,25-,27+,28-,29-,30-,31+/m1/s1 Image of MNXM6932
SMILES (mnx)[CH3:1][CH2:10][C@H:22]1[CH2:15][C@@H:18]([CH3:4])[C:23](=[O:33])/[CH:13]=[CH:12]/[C:17]([CH3:3])=[CH:14]/[C@H:19]([CH3:5])[C@@H:25]([CH2:11][CH3:2])[O:39][C:26](=[O:35])[CH2:16][C@@H:24]([OH:34])[C@H:20]([CH3:6])[C@H:30]1[O:40][C@H:31]1[C@H:29]([OH:37])[C@@H:27]([N:32]([CH3:8])[CH3:9])[C@H:28]([OH:36])[C@@H:21]([CH3:7])[O:38]1
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)6
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:76802
chebi:76802
BMKVJAXXBOWJEE-BPFVPZITSA-O 		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
BMKVJAXXBOWJEE-BPFVPZITSA-N 		5-O-beta-D-Mycaminosyltylactone

seed.compound:cpd08798
seedM:cpd08798
BMKVJAXXBOWJEE-BPFVPZITSA-O 		5-O-beta-D-Mycaminosyltylactone
5-O-beta-mycaminosyltylactone

CHEBI:29491
chebi:29491
BMKVJAXXBOWJEE-BPFVPZITSA-N 		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
BMKVJAXXBOWJEE-BPFVPZITSA-O 		5-O-beta-mycaminosyltylactone

keggC:M_C12001
seedM:M_cpd08798 		secondary/obsolete/fantasy identifier