Neo-lambda-carrahexaose

Structural Information

Molecular Formula

C₃₆H₆₂O₅₈S₉

SMILES

C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O)OS(=O)(=O)O)O[C@@H]2[C@@H]([C@H]([C@H]([C@H](O2)COS(=O)(=O)O)O[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O[C@@H]4[C@@H]([C@H]([C@H]([C@H](O4)COS(=O)(=O)O)O[C@H]5[C@@H]([C@H]([C@H]([C@H](O5)CO)O)O[C@@H]6[C@@H]([C@H]([C@H]([C@H](O6)COS(=O)(=O)O)O)O)OS(=O)(=O)O)OS(=O)(=O)O)O)OS(=O)(=O)O)OS(=O)(=O)O)O)OS(=O)(=O)O)O)O

InChI

InChI=1S/C36H62O58S9/c37-1-7-14(41)22(28(31(47)78-7)92-101(66,67)68)86-33-26(90-99(60,61)62)18(45)20(11(82-33)5-76-96(51,52)53)84-36-30(94-103(72,73)74)24(16(43)9(3-39)80-36)88-34-27(91-100(63,64)65)19(46)21(12(83-34)6-77-97(54,55)56)85-35-29(93-102(69,70)71)23(15(42)8(2-38)79-35)87-32-25(89-98(57,58)59)17(44)13(40)10(81-32)4-75-95(48,49)50/h7-47H,1-6H2,(H,48,49,50)(H,51,52,53)(H,54,55,56)(H,57,58,59)(H,60,61,62)(H,63,64,65)(H,66,67,68)(H,69,70,71)(H,72,73,74)/t7-,8-,9-,10-,11-,12-,13+,14+,15+,16+,17+,18+,19+,20+,21+,22+,23+,24+,25-,26-,27-,28-,29-,30-,31-,32-,33-,34-,35+,36+/m1/s1

InChIKey

XCAVJOBVNSMNME-HOQVOYLOSA-N

Compound name

[(2R,3R,4S,5R,6R)-2-[(2R,3R,4S,5S,6R)-2,5-dihydroxy-6-(hydroxymethyl)-3-sulfooxyoxan-4-yl]oxy-5-[(2S,3R,4S,5S,6R)-4-[(2R,3R,4S,5R,6R)-5-[(2S,3R,4S,5S,6R)-4-[(2R,3R,4S,5R,6R)-4,5-dihydroxy-3-sulfooxy-6-(sulfooxymethyl)oxan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)-3-sulfooxyoxan-2-yl]oxy-4-hydroxy-3-sulfooxy-6-(sulfooxymethyl)oxan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)-3-sulfooxyoxan-2-yl]oxy-4-hydroxy-6-(sulfooxymethyl)oxan-3-yl] hydrogen sulfate

Related CIDs

• CID 54758567