6-[5-acetamido-4,6-dihydroxy-2-(sulfooxymethyl)oxan-3-yl]oxy-3-[5-(6-carboxy-4,5-dihydroxy-3-sulfooxy-oxan-2-yl)oxy-6-(hydroxymethyl)-3-(sulfoamino)-4-sulfooxy-oxan-2-yl]oxy-4-hydroxy-5-sulfooxy-oxane-2-carboxylic acid
Molecular Formula:
C26H42N2O37S5
InChI: InChI=1/C26H42N2O37S5/c1-4(30)27-7-9(31)13(6(56-23(7)39)3-55-67(43,44)45)58-26-19(65-70(52,53)54)12(34)16(20(62-26)22(37)38)60-24-8(28-66(40,41)42)15(63-68(46,47)48)14(5(2-29)57-24)59-25-18(64-69(49,50)51)11(33)10(32)17(61-25)21(35)36/h5-20,23-26,28-29,31-34,39H,2-3H2,1H3,(H,27,30)(H,35,36)(H,37,38)(H,40,41,42)(H,43,44,45)(H,46,47,48)(H,49,50,51)(H,52,53,54)/f/h27,35,37,40,43,46,49,52H
InChIKey: InChIKey=HTTJABKRGRZYRN-XKAJDVGVCI
SMILES: CC(=O)NC1C(C(C(OC1O)COS(=O)(=O)O)OC2C(C(C(C(O2)C(=O)O)OC3C(C(C(C(O3)CO)OC4C(C(C(C(O4)C(=O)O)O)O)OS(=O)(=O)O)OS(=O)(=O)O)NS(=O)(=O)O)O)OS(=O)(=O)O)O
Names:
6-[5-acetamido-4,6-dihydroxy-2-(sulfooxymethyl)oxan-3-yl]oxy-3-[5-(6-carboxy-4,5-dihydroxy-3-sulfooxy-oxan-2-yl)oxy-6-(hydroxymethyl)-3-(sulfoamino)-4-sulfooxy-oxan-2-yl]oxy-4-hydroxy-5-sulfooxy-oxane-2-carboxylic acid
Registries:
PubChem CID 772
PubChem ID 17292987
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|