(2S,3S)-2-hydroxytridecane-1,2,3-tricarboxylate

Chemical Formula:

C₁₆H₂₅O₇

Molecular Weight:

329.369 Daltons

Monoisotopic Mass:

332.1835032535 Daltons

SMILES:

CCCCCCCCCCC(C(=O)[O-])C(O)(CC(=O)[O-])C(=O)[O-]

InChI:

1S/C16H28O7/c1-2-3-4-5-6-7-8-9-10-12(14(19)20)16(23,15(21)22)11-13(17)18/h12,23H,2-11H2,1H3,(H,17,18)(H,19,20)(H,21,22)/p-3/t12-,16-/m1/s1

InChIKey:

DQIHPEKINXOMBM-MLGOLLRUSA-K

Databases

MetaCyc: HYDROXYTRIDECANE-ETCETERA-TRICARBOXYLATE

ChEBI: 15608

PubChem (CID): 25202072

KEGG: C04655

Seed: cpd02837

MetaNetX: MNXM4172