UDP-N-acetyl-D-galactosamine 4-sulfate

Chemical Formula:

C₁₇H₂₄N₃O₂₀P₂S

Molecular Weight:

684.392 Daltons

Monoisotopic Mass:

687.0383840343 Daltons

SMILES:

CC(=O)NC3(C(O)C(OS(=O)(=O)[O-])C(CO)OC(OP(=O)([O-])OP(=O)([O-])OCC1(C(O)C(O)C(O1)N2(C=CC(=O)NC(=O)2)))3)

InChI:

1S/C17H27N3O20P2S/c1-6(22)18-10-12(25)14(39-43(32,33)34)7(4-21)37-16(10)38-42(30,31)40-41(28,29)35-5-8-11(24)13(26)15(36-8)20-3-2-9(23)19-17(20)27/h2-3,7-8,10-16,21,24-26H,4-5H2,1H3,(H,18,22)(H,28,29)(H,30,31)(H,19,23,27)(H,32,33,34)/p-3/t7-,8-,10-,11-,12-,13-,14+,15-,16?/m1/s1

InChIKey:

ITVFJXYJMFKBES-RXKPRGQLSA-K

Databases

MetaCyc: UDP-N-ACETYL-D-GALACTOSAMINE-4-SULFATE

ChEBI: 58188

PubChem (CID): 49792008

HMDB: HMDB00934

KEGG: C04426

Seed: cpd02702

MetaNetX: MNXM4128