MetaNetX
Automated Model Construction and Genome Annotation for Large-Scale Metabolic Networks

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icos#10

	Properties	Image
MNX_ID	MNXM156717
reference	chebi:79117
formula	C₂₄H₃₃NO₇
global charge	0
mol weight	447.528
InChIKey	LAOIIVMDNNIKFB-IAPYZZODSA-N
InChI	InChI=1S/C24H33NO7/c1-16-21(32-23(29)18-15-25-19-11-8-7-10-17(18)19)14-20(26)24(31-16)30-13-9-5-3-2-4-6-12-22(27)28/h7-8,10-11,15-16,20-21,24-26H,2-6,9,12-14H2,1H3,(H,27,28)/t16-,20+,21+,24+/m0/s1
SMILES	C[C@@H]1O[C@@H](OCCCCCCCCC(=O)O)[C@H](O)C[C@H]1OC(=O)C1=CNC2=C1C=CC=C2

MNX internals

InChI (mnx)	InChI=1/C24H33NO7/c1-16-21(32-23(29)18-15-25-19-11-8-7-10-17(18)19)14-20(26)24(31-16)30-13-9-5-3-2-4-6-12-22(27)28/h7-8,10-11,15-16,20-21,24-26H,2-6,9,12-14H2,1H3,(H,27,28)/t16-,20+,21+,24+/m0/s1
SMILES (mnx)	[CH3:1][C@H:16]1[C@H:21]([O:32][C:23]([C:18]2=[CH:15][NH:25][C:19]3=[CH:11][CH:8]=[CH:7][CH:10]=[C:17]23)=[O:29])[CH2:14][C@@H:20]([OH:26])[C@H:24]([O:30][CH2:13][CH2:9][CH2:5][CH2:3][CH2:2][CH2:4][CH2:6][CH2:12][C:22](=[O:27])[OH:28])[O:31]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
Identifier	Description
CHEBI:79117 chebi:79117 LAOIIVMDNNIKFB-IAPYZZODSA-N	icos#10 9-(3'R-hydroxy-5'R-O-(1H-indol-3-ylcarbonyl)-6'S-methyl-(2H)-tetrahydropyran-2'-yloxy)-nonanoic acid 9-{[3,6-dideoxy-4-O-(1H-indol-3-ylcarbonyl)-alpha-L-arabino-hexopyranosyl]oxy}nonanoic acid
lipidmaps:LMFA13040137 lipidmapsM:LMFA13040137 LAOIIVMDNNIKFB-IAPYZZODSA-N	icos#10 9-((1H-indol-3-ylcarbonyl)3,6-dideoxy-alpha-L-arabino-hexopyranosyloxy)-nonanoic acid 9-(3'R-hydroxy-5'R-O-(1H-indol-3-ylcarbonyl)-6'S-methyl-(2H)-tetrahydropyran-2'-yloxy)-nonanoic acid