13-β-D-glucosyloxydocosanoate

Chemical Formula:

C₂₈H₅₃O₈

Molecular Weight:

517.722 Daltons

Monoisotopic Mass:

518.3818687102 Daltons

SMILES:

CCCCCCCCCC(CCCCCCCCCCCC(=O)[O-])OC1(OC(C(C(C1O)O)O)CO)

InChI:

1S/C28H54O8/c1-2-3-4-5-9-12-15-18-22(35-28-27(34)26(33)25(32)23(21-29)36-28)19-16-13-10-7-6-8-11-14-17-20-24(30)31/h22-23,25-29,32-34H,2-21H2,1H3,(H,30,31)/p-1/t22?,23-,25-,26+,27-,28-/m1/s1

InChIKey:

MVSYTBQOJXSHFZ-SFOFOFCKSA-M

Synonyms

13-[β-D-glucopyranosyloxy]docosanoate

Databases

MetaCyc: CPD-803

ChemSpider: 7827507

PubChem (CID): 9548583

ChEBI: 36487

KEGG: C04103

Seed: cpd02534

MetaNetX: MNXM3788