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

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oscr#16

	Properties	Image
MNX_ID	MNXM159065
reference	chebi:79138
formula	C₁₆H₃₀O₆
global charge	0
mol weight	318.41
InChIKey	KRXDKQWKJIZPMU-DSJMHWKBSA-N
InChI	InChI=1S/C16H30O6/c1-12-13(17)11-14(18)16(22-12)21-10-8-6-4-2-3-5-7-9-15(19)20/h12-14,16-18H,2-11H2,1H3,(H,19,20)/t12-,13+,14+,16+/m0/s1
SMILES	C[C@@H]1O[C@@H](OCCCCCCCCCC(=O)O)[C@H](O)C[C@H]1O

MNX internals

InChI (mnx)	InChI=1/C16H30O6/c1-12-13(17)11-14(18)16(22-12)21-10-8-6-4-2-3-5-7-9-15(19)20/h12-14,16-18H,2-11H2,1H3,(H,19,20)/t12-,13+,14+,16+/m0/s1
SMILES (mnx)	[CH3:1][C@H:12]1[C@H:13]([OH:17])[CH2:11][C@@H:14]([OH:18])[C@H:16]([O:21][CH2:10][CH2:8][CH2:6][CH2:4][CH2:2][CH2:3][CH2:5][CH2:7][CH2:9][C:15](=[O:19])[OH:20])[O:22]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:79138 chebi:79138 KRXDKQWKJIZPMU-DSJMHWKBSA-N	oscr#16 10-(3'R,5'R-dihydroxy-6'S-methyl-(2H)-tetrahydropyran-2'-yloxy)-decanoic acid 10-[(3,6-dideoxy-alpha-L-arabino-hexopyranosyl)oxy]decanoic acid
CHEBI:139981 chebi:139981 KRXDKQWKJIZPMU-DSJMHWKBSA-M	oscr#16(1-) 10-[(3,6-dideoxy-alpha-L-arabino-hexopyranosyl)oxy]decanoate
lipidmaps:LMFA13040090 lipidmapsM:LMFA13040090 KRXDKQWKJIZPMU-DSJMHWKBSA-N	oscr#16 10-(3'R,5'R-dihydroxy-6'S-methyl-(2H)-tetrahydropyran-2'-yloxy)-decanoic acid 10-(3,6-dideoxy-alpha-L-arabino-hexopyranosyloxy)-decanoic acid