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ibho#18

PropertiesImage
MNX_IDMNXM156684 Image of MNXM156684
referencechebi:79372
formulaC26H37NO8
global charge0
mol weight491.581
InChIKeyKNUQGRSJUADXIR-SIHSWOPCSA-N
InChIInChI=1S/C26H37NO8/c1-17-23(35-25(32)20-16-27-21-12-8-7-11-19(20)21)15-22(29)26(34-17)33-13-9-5-3-2-4-6-10-18(28)14-24(30)31/h7-8,11-12,16-18,22-23,26-29H,2-6,9-10,13-15H2,1H3,(H,30,31)/t17-,18+,22+,23+,26+/m0/s1
SMILESC[C@@H]1O[C@@H](OCCCCCCCC[C@@H](O)CC(=O)O)[C@H](O)C[C@H]1OC(=O)C1=CNC2=C1C=CC=C2
MNX internals
InChI (mnx)InChI=1/C26H37NO8/c1-17-23(35-25(32)20-16-27-21-12-8-7-11-19(20)21)15-22(29)26(34-17)33-13-9-5-3-2-4-6-10-18(28)14-24(30)31/h7-8,11-12,16-18,22-23,26-29H,2-6,9-10,13-15H2,1H3,(H,30,31)/t17-,18+,22+,23+,26+/m0/s1 Image of MNXM156684
SMILES (mnx)[CH3:1][C@H:17]1[C@H:23]([O:35][C:25]([C:20]2=[CH:16][NH:27][C:21]3=[CH:12][CH:8]=[CH:7][CH:11]=[C:19]23)=[O:32])[CH2:15][C@@H:22]([OH:29])[C@H:26]([O:33][CH2:13][CH2:9][CH2:5][CH2:3][CH2:2][CH2:4][CH2:6][CH2:10][C@H:18]([CH2:14][C:24](=[O:30])[OH:31])[OH:28])[O:34]1
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)0
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:79372
chebi:79372
KNUQGRSJUADXIR-SIHSWOPCSA-N 		ibho#18
(3R)-11-{[3,6-dideoxy-4-O-(1H-indol-3-ylcarbonyl)-alpha-L-arabino-hexopyranosyl]oxy}-3-hydroxyundecanoic acid
3R-hydroxy-11-(3'R-hydroxy-5'R-O-(1H-indol-3-ylcarbonyl)-6'S-methyl-(2H)-tetrahydropyran-2'-yloxy)-undecanoic acid

lipidmaps:LMFA13040142
lipidmapsM:LMFA13040142
KNUQGRSJUADXIR-SIHSWOPCSA-N 		ibho#18
3R-hydroxy-11-((1H-indol-3-ylcarbonyl)3,6-dideoxy-alpha-L-arabino-hexopyranosyloxy)-undecanoic acid
3R-hydroxy-11-(3'R-hydroxy-5'R-O-(1H-indol-3-ylcarbonyl)-6'S-methyl-(2H)-tetrahydropyran-2'-yloxy)-undecanoic acid