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

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loliose

	Properties	Image
MNX_ID	MNXM5813
reference	chebi:50661
formula	C₁₈H₃₂O₁₆
global charge	0
mol weight	504.438
InChIKey	AEVXMUQAEMWBMR-ZRQHEJPJSA-N
InChI	InChI=1S/C18H32O16/c19-1-5-8(23)11(26)12(27)16(30-5)32-14-9(24)6(2-20)31-17(13(14)28)34-18(4-22)15(29)10(25)7(3-21)33-18/h5-17,19-29H,1-4H2/t5-,6-,7-,8+,9-,10-,11+,12-,13-,14+,15+,16-,17-,18+/m1/s1
SMILES	OC[C@H]1O[C@H](O[C@@H]2[C@@H](O)[C@@H](O[C@]3(CO)O[C@H](CO)[C@@H](O)[C@@H]3O)O[C@H](CO)[C@H]2O)[C@H](O)[C@@H](O)[C@H]1O

MNX internals

InChI (mnx)	InChI=1/C18H32O16/c19-1-5-8(23)11(26)12(27)16(30-5)32-14-9(24)6(2-20)31-17(13(14)28)34-18(4-22)15(29)10(25)7(3-21)33-18/h5-17,19-29H,1-4H2/t5-,6-,7-,8+,9-,10-,11+,12-,13-,14+,15+,16-,17-,18+/m1/s1
SMILES (mnx)	[CH2:1]([C@@H:5]1[C@H:8]([OH:23])[C@H:11]([OH:26])[C@@H:12]([OH:27])[C@@H:16]([O:32][C@H:14]2[C@H:9]([OH:24])[C@@H:6]([CH2:2][OH:20])[O:31][C@H:17]([O:34][C@@:18]3([CH2:4][OH:22])[C@@H:15]([OH:29])[C@H:10]([OH:25])[C@@H:7]([CH2:3][OH:21])[O:33]3)[C@@H:13]2[OH:28])[O:30]1)[OH:19]

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	4
in models (compartimentalized)	0

Similar chemical compounds in external resources
Identifier	Description
CHEBI:50661 chebi:50661 AEVXMUQAEMWBMR-ZRQHEJPJSA-N	loliose alpha-D-Gal-(1->3)-alpha-D-Glc-(1->2)-beta-D-Fru alpha-D-galactopyranosyl-(1->3)-alpha-D-glucopyranosyl-(1->2)-beta-D-fructose beta-D-fructofuranosyl alpha-D-galactopyranosyl-(1->3)-alpha-D-glucopyranoside
seed.compound:cpd22774 seedM:cpd22774 AEVXMUQAEMWBMR-ZRQHEJPJSA-N	alpha-D-Gal-(1->3)-alpha-D-Gal-(1->2)-beta-D-Fru loliose
metacyc.compound:CPD-10682 metacycM:CPD-10682 AEVXMUQAEMWBMR-ZRQHEJPJSA-N	loliose alpha-D-Gal-(1->3)-alpha-D-Glc-(1->2)-beta-D-Fru
seedM:M_cpd22774	secondary/obsolete/fantasy identifier