neo-λ-carrahexaose
Chemical Formula:
C36H53O58S9
Molecular Weight:
1702.32 Daltons
Monoisotopic Mass:
1709.938836282 Daltons
SMILES:
C(O)C1(OC(O)C(OS(=O)(=O)[O-])C(C(O)1)OC2(OC(COS([O-])(=O)=O)C(C(O)C(OS(=O)(=O)[O-])2)OC3(OC(CO)C(O)C(C(OS(=O)(=O)[O-])3)OC4(OC(COS([O-])(=O)=O)C(C(O)C(OS(=O)(=O)[O-])4)OC5(OC(CO)C(O)C(C(OS(=O)(=O)[O-])5)OC6(OC(COS(=O)([O-])=O)C(O)C(O)C(OS(=O)(=O)[O-])6))))))
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)/p-9/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:
Databases
MetaCyc:
CPD-13452
PubChem (CID):
54758567
Seed:
cpd23887
MetaNetX:
MNXM12438