Search MNXref
SystemsX.ch
The Swiss Initiative in Systems Biology
 Feedback

2-acetyl-3'-dodecanoyl-3-(2-methylbutanoyl)-4-(3-methylbutanoyl)sucrose

PropertiesImageOccurences in reactions
MNX_IDMNXM683044Image of MNXM683044
#reac
in my sandbox 0
in MNXref (generic)1
in models (compartimentalized) 0
formulaC36H62O15
charge0
mass734.40887
referencemetacycM:CPD-19123
InChIKeyIOLOYIOKSKTZEJ-JBZCSEOXSA-N
InChIInChI=1S/C36H62O15/c1-7-9-10-11-12-13-14-15-16-17-27(41)48-33-29(43)25(19-37)50-36(33,21-39)51-35-32(45-24(6)40)31(49-34(44)23(5)8-2)30(26(20-38)46-35)47-28(42)18-22(3)4/h22-23,25-26,29-33,35,37-39,43H,7-21H2,1-6H3/t23?,25-,26-,29-,30-,31+,32-,33+,35-,36+/m1/s1
SMILESCCCCCCCCCCCC(=O)O[C@H]1[C@H](O)[C@@H](CO)O[C@@]1(CO)O[C@H]1O[C@H](CO)[C@@H](OC(=O)CC(C)C)[C@H](OC(=O)C(C)CC)[C@H]1OC(C)=O
Parent-child relations graph
 Deprecated MNXref IDs graph
Similar chemical compounds in external resources
IdentifierDescription
metacyc.compound:CPD-19123
metacycM:CPD-19123 		2-acetyl-3'-dodecanoyl-3-(2-methylbutanoyl)-4-(3-methylbutanoyl)sucrose
2-acetyl-3'-lauryl-3-(2-methylbutanoyl)-4-(isovaleryl)sucrose
seed.compound:cpd33553
seedM:cpd33553 		sucrose-2-acetyl-3-(2-methyl)butyryl-4-isovaleroyl-3'-laurate
seedM:M_cpd33553 secondary/obsolete/fantasy identifier