ChEBI


 14 13  0  0  1  0  0  0  0  0  1 V2000
    5.9244   -5.3681    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0845   -6.0397    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2140   -5.3681    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3741   -6.0397    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5036   -5.3681    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9244   -4.0554    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7948   -6.0397    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2140   -4.0554    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2140   -6.6808    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6637   -6.0397    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.7933   -5.3681    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   12.1217   -4.2385    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.9534   -4.6659    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.4954   -6.4976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  7  1  1  0  0  0  0
  6  1  2  0  0  0  0
  3  2  1  0  0  0  0
  4  3  1  0  0  0  0
  8  3  1  0  0  0  0
  3  9  1  1  0  0  0
  5  4  1  0  0  0  0
 10  5  1  0  0  0  0
 11 10  1  0  0  0  0
 13 11  1  0  0  0  0
 14 11  1  0  0  0  0
 12 11  2  0  0  0  0
M  END
> <ID>
CHEBI:17436

> <NAME>
(R)-5-phosphomevalonic acid

> <DEFINITION>
A carboxyalkyl phosphate that is mevalonic acid phosphorylated at position 5.

> <STAR>
3

> <SECONDARY_ID>
CHEBI:10991; CHEBI:10990; CHEBI:18675; CHEBI:333

> <SYNONYM>
(R)-Mevalonic acid 5-phosphate; (R)-5-Phosphomevaloonic acid; (R)-5-phosphomevalonate; (R)-5-Phosphomevalonate

> <IUPAC_NAME>
(3R)-3-hydroxy-3-methyl-5-(phosphonooxy)pentanoic acid

> <FORMULA>
C6H13O7P

> <MASS>
228.13698

> <MONOISOTOPIC_MASS>
228.03989

> <CHARGE>
0

> <SMILES>
C[C@@](O)(CCOP(O)(O)=O)CC(O)=O

> <INCHI>
InChI=1S/C6H13O7P/c1-6(9,4-5(7)8)2-3-13-14(10,11)12/h9H,2-4H2,1H3,(H,7,8)(H2,10,11,12)/t6-/m1/s1

> <INCHIKEY>
OKZYCXHTTZZYSK-ZCFIWIBFSA-N

> <KEGG_COMPOUND_ACCESSION>
C01107

> <KNAPSACK_ACCESSION>
C00007304

> <PDBECHEM_ACCESSION>
PMV

$$$$