3-(methylsulfanyl)propyl-desulfoglucosinolate

Chemical Formula:

C₁₁H₂₁NO₆S₂

Molecular Weight:

327.41 Daltons

Monoisotopic Mass:

327.0810287919 Daltons

SMILES:

CSCCCC(=NO)SC1(OC(CO)C(O)C(O)C(O)1)

InChI:

1S/C11H21NO6S2/c1-19-4-2-3-7(12-17)20-11-10(16)9(15)8(14)6(5-13)18-11/h6,8-11,13-17H,2-5H2,1H3/b12-7+/t6-,8-,9+,10-,11+/m1/s1

InChIKey:

OYTRJEKRRFSKHF-BZVDQRPCSA-N

Synonyms

Databases

MetaCyc: 3-METHYLTHIOPROPYL-DESULFO-GLUCOSINOLATE

ChEBI: 136425

PubChem (CID): 90659312

KEGG: C17244

Seed: cpd17434

MetaNetX: MNXM10067