15-dehydro-prostaglandin I2

Chemical Formula:

C₂₀H₂₉O₅

Molecular Weight:

349.446 Daltons

Monoisotopic Mass:

350.2093240735 Daltons

SMILES:

CCCCCC(=O)C=CC1(C(O)C[CH]2([CH]1CC(=CCCCC(=O)[O-])O2))

InChI:

1S/C20H30O5/c1-2-3-4-7-14(21)10-11-16-17-12-15(8-5-6-9-20(23)24)25-19(17)13-18(16)22/h8,10-11,16-19,22H,2-7,9,12-13H2,1H3,(H,23,24)/p-1/b11-10+,15-8-/t16-,17-,18-,19+/m1/s1

InChIKey:

YCLHGWBUIYKBPM-ABXKVQRYSA-M

Synonyms

(5Z,13E)-6,9-α-epoxy-11-α-hydroxy-15-oxoprosta-5,13-dienoate

Databases

MetaCyc: 5Z13E-69-ALPHA-EPOXY-11-ALPHA-HYDROXPROS

ChEBI: 57407

PubChem (CID): 25246210

KEGG: C04835

MetaNetX: MNXM3792