validamycin A

Chemical Formula:

C₂₀H₃₆NO₁₃

Molecular Weight:

498.503 Daltons

Monoisotopic Mass:

498.2186652481 Daltons

SMILES:

C(C1(C(C(C(C(C=1)[N+]C2(C(C(C(C(C2)CO)OC3(OC(C(C(C3O)O)O)CO))O)O))O)O)O))O

InChI:

1S/C20H35NO13/c22-3-6-1-8(12(26)15(29)11(6)25)21-9-2-7(4-23)19(17(31)13(9)27)34-20-18(32)16(30)14(28)10(5-24)33-20/h1,7-32H,2-5H2/p+1/t7-,8+,9+,10-,11-,12+,13+,14-,15+,16+,17-,18-,19-,20+/m1/s1

InChIKey:

JARYYMUOCXVXNK-CSLFJTBJSA-O

Synonyms

jinggangmycin
(1R,2R,3S,4S,6R)-2,3-dihydroxy-6-(hydroxymethyl)-4-{[(1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino}cyclohexyl β-D-glucopyranoside

Databases

MetaCyc: VALIDAMYCIN-A

ChEBI: 90869

HMDB: HMDB36592

PubChem (CID): 25200432

KEGG: C12112

Seed: cpd08894

MetaNetX: MNXM22422