MetaNetX
Automated Model Construction and Genome Annotation for Large-Scale Metabolic Networks
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neocarratetraose 4-O-sulfate
Properties
Image
Occurences in reactions
MNX_ID
MNXM12444
#reac
in my sandbox
0
in MNXref (generic)
2
in models (compartimentalized)
0
formula
C
24
H
37
O
22
S
charge
-1
mass
709.15027
reference
metacycM:CPD-13457
InChIKey
GJJWTYKIIKCNMQ-FIJVXFBFSA-M
InChI
InChI=1S/C24H38O22S/c25-1-5-9(27)18(44-22-12(30)17-10(28)7(41-22)3-37-17)13(31)23(40-5)43-15-8-4-38-19(15)14(32)24(42-8)45-20-11(29)21(33)39-6(2-26)16(20)46-47(34,35)36/h5-33H,1-4H2,(H,34,35,36)/p-1/t5-,6-,7-,8-,9+,10+,11-,12-,13-,14-,15+,16+,17+,18+,19-,20-,21-,22-,23+,24-/m1/s1
SMILES
O=S(=O)([O-])O[C@H]1[C@@H](CO)O[C@@H](O)[C@H](O)[C@H]1O[C@H]1O[C@@H]2CO[C@@H]([C@H]2O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@H]3O[C@@H]4CO[C@@H]([C@H]4O)[C@H]3O)[C@H]2O)[C@H]1O
Parent-child relations graph
Deprecated MNXref IDs graph
Similar chemical compounds in external resources
Identifier
Description
metacyc.compound:CPD-13457
metacycM:CPD-13457
seed.compound:cpd23890
seedM:cpd23890
neocarratetraose 4-O-sulfate
seedM:M_cpd23890
secondary/obsolete/fantasy identifier