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IC-asc-C9

PropertiesImage (std)Image (mnx)
MNX_IDMNXM156700 Image of MNXM156700 Image of MNXM156700
referencechebi:140801
formula (std)C24H32NO7
global charge (std)-1
mol weight (std)446.52
InChIKey (std)VGNCAEIQHDZOLI-JTCUFRKPSA-M
InChI (std)InChI=1S/C24H33NO7/c1-15(9-5-3-4-6-12-22(27)28)30-24-20(26)13-21(16(2)31-24)32-23(29)18-14-25-19-11-8-7-10-17(18)19/h7-8,10-11,14-16,20-21,24-26H,3-6,9,12-13H2,1-2H3,(H,27,28)/p-1/t15-,16+,20-,21-,24-/m1/s1
InChI (mnx)InChI=1/C24H33NO7/c1-15(9-5-3-4-6-12-22(27)28)30-24-20(26)13-21(16(2)31-24)32-23(29)18-14-25-19-11-8-7-10-17(18)19/h7-8,10-11,14-16,20-21,24-26H,3-6,9,12-13H2,1-2H3,(H,27,28)/t15-,16+,20-,21-,24-/m1/s1
SMILES (std)C[C@H](CCCCCCC(=O)[O-])O[C@@H]1O[C@@H](C)[C@H](OC(=O)C2=CNC3=C2C=CC=C3)C[C@H]1O
SMILES (mnx)[CH3:1][C@H:15]([CH2:9][CH2:5][CH2:3][CH2:4][CH2:6][CH2:12][C:22](=[O:27])[OH:28])[O:30][C@H:24]1[C@H:20]([OH:26])[CH2:13][C@@H:21]([O:32][C:23]([C:18]2=[CH:14][NH:25][C:19]3=[CH:11][CH:8]=[CH:7][CH:10]=[C:17]23)=[O:29])[C@H:16]([CH3:2])[O:31]1
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)2
in models (compartimentalized) 1
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:140801
chebi:140801
VGNCAEIQHDZOLI-JTCUFRKPSA-M 		IC-asc-C9
(8R)-8-{[3,6-dideoxy-4-O-(1H-indol-3-ylcarbonyl)-alpha-L-arabino-hexopyranosyl]oxy}nonanoate
IC-asc-C9(1-)
icas#10 anion
icas#10(1-)

CHEBI:79029
chebi:79029
VGNCAEIQHDZOLI-JTCUFRKPSA-N 		icas#10
(8R)-8-{[3,6-dideoxy-4-O-(1H-indol-3-ylcarbonyl)-alpha-L-arabino-hexopyranosyl]oxy}nonanoic acid
8R-(3'R-hydroxy-5'R-O-(1H-indol-3-ylcarbonyl)-6'S-methyl-(2H)-tetrahydropyran-2'-yloxy)-nonanoic acid
IC-asc-C9

lipidmaps:LMFA13040125
lipidmapsM:LMFA13040125
VGNCAEIQHDZOLI-JTCUFRKPSA-N 		icas#10
8R-((1H-indol-3-ylcarbonyl)3,6-dideoxy-alpha-L-arabino-hexopyranosyloxy)-nonanoic acid
8R-(3'R-hydroxy-5'R-O-(1H-indol-3-ylcarbonyl)-6'S-methyl-(2H)- tetrahydropyran-2'-yloxy)-nonanoic acid

chebi:166984 		secondary/obsolete/fantasy identifier