4-pentenyl-glucosinolate

Chemical Formula:

C₁₂H₂₀NO₉S₂

Molecular Weight:

386.411 Daltons

Monoisotopic Mass:

387.0657726582 Daltons

SMILES:

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

InChI:

1S/C12H21NO9S2/c1-2-3-4-5-8(13-22-24(18,19)20)23-12-11(17)10(16)9(15)7(6-14)21-12/h2,7,9-12,14-17H,1,3-6H2,(H,18,19,20)/p-1/b13-8+/t7-,9-,10+,11-,12+/m1/s1

InChIKey:

XMJFVIGTHMOGNZ-KALKGZTMSA-M

Databases

MetaCyc: CPDQT-422

MetaboLights: MTBLC5397

HMDB: HMDB38417

KEGG: C08403

ChemSpider: 7827550

ChEBI: 5397

PubChem (CID): 9548627

MetaNetX: MNXM18125