4-hydroxybutylglucosinolate

Chemical Formula:

C₁₁H₂₀NO₁₀S₂

Molecular Weight:

390.4 Daltons

Monoisotopic Mass:

391.06068728030004 Daltons

SMILES:

C(O)CCCC(=NOS(=O)(=O)[O-])SC1(OC(CO)C(O)C(O)C(O)1)

InChI:

1S/C11H21NO10S2/c13-4-2-1-3-7(12-22-24(18,19)20)23-11-10(17)9(16)8(15)6(5-14)21-11/h6,8-11,13-17H,1-5H2,(H,18,19,20)/p-1/b12-7+/t6-,8-,9+,10-,11+/m1/s1

InChIKey:

QHIATSAYASRLEY-BZVDQRPCSA-M

Synonyms

β-D-glucopyranose, 1-thio-, 1-[5-hydroxy-N-(sulfooxy)pentanimidate]

Databases

MetaCyc: CPDQT-274

PubChem (CID): 44237251

KNApSAcK: C00007342

Seed: cpd26623

MetaNetX: MNXM8144