(13E)-11-α-hydroxy-9,15-dioxoprost-13-enoate

Chemical Formula:

C₂₀H₃₁O₅

Molecular Weight:

351.462 Daltons

Monoisotopic Mass:

352.2249741377 Daltons

SMILES:

CCCCCC(=O)C=CC1(C(O)CC(=O)C(CCCCCCC(=O)[O-])1)

InChI:

1S/C20H32O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h12-13,16-17,19,23H,2-11,14H2,1H3,(H,24,25)/p-1/b13-12+/t16-,17-,19-/m1/s1

InChIKey:

VXPBDCBTMSKCKZ-XQHNHVHJSA-M

Databases

MetaCyc: 13E-11-ALPHA-HYDROXY-915-DIOXOPROST-1

RefMet: 15-keto-PGE1

MetaboLights: MTBLC57401

HMDB: HMDB01320

ChEBI: 57401

PubChem (CID): 25245251

KEGG: C04654

Seed: cpd02836

MetaNetX: MNXM3139