(2S,3R,4R)-2,3,4-trihydroxy-5-(phosphonatooxy)pentanal
  Marvin  10041008402D          

 15 14  0  0  0  0            999 V2000
   11.3511   -8.1628    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0657   -7.7503    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9235   -7.7503    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2091   -8.1628    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   13.4945   -7.7503    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   12.7801   -8.1628    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   15.6380   -8.1628    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.2091   -8.9878    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.4945   -6.9253    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.7801   -8.9878    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.9235   -6.9253    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6367   -7.7503    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    9.9026   -8.1628    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6367   -6.9253    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.4231   -8.5472    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3 11  2  0  0  0  0
  4  3  1  0  0  0  0
  4  8  1  1  0  0  0
  4  5  1  0  0  0  0
  5  9  1  1  0  0  0
  6  2  1  0  0  0  0
  5  6  1  0  0  0  0
  6 10  1  6  0  0  0
  7  3  1  0  0  0  0
  1 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  2  0  0  0  0
 12 15  1  0  0  0  0
M  END
> <ID>
CHEBI:16241

> <NAME>
aldehydo-D-arabinose 5-phosphate

> <DEFINITION>
The 5-phospho derivative of D-arabinose. It is an intermediate in the synthesis of lipopolysaccharides.

> <STAR>
3

> <SECONDARY_ID>
CHEBI:12916; CHEBI:20915; CHEBI:4104

> <SYNONYM>
D-Arabinose 5-phosphate; D-A-5-P; 5-O-phosphono-D-arabinose

> <IUPAC_NAME>
D-arabinose 5-(dihydrogen phosphate)

> <FORMULA>
C5H11O8P

> <MASS>
230.10980

> <MONOISOTOPIC_MASS>
230.01915

> <CHARGE>
0

> <SMILES>
[H]C(=O)[C@@H](O)[C@H](O)[C@H](O)COP(O)(O)=O

> <INCHI>
InChI=1S/C5H11O8P/c6-1-3(7)5(9)4(8)2-13-14(10,11)12/h1,3-5,7-9H,2H2,(H2,10,11,12)/t3-,4-,5+/m1/s1

> <INCHIKEY>
PPQRONHOSHZGFQ-WDCZJNDASA-N

> <CAS_REGISTRY_NUMBER>
13137-52-5

> <REAXYS_REGISTRY_NUMBER>
1728060

> <CHEMIDPLUS>
13137-52-5

> <KEGG_COMPOUND_ACCESSION>
C01112

> <METACYC_ACCESSION>
ARABINOSE-5P

> <PUBMED_CITATION>
12805358; 21438567; 6541043

$$$$