ChEBI
  Marvin  09120514022D          

  6  5  0  0  1  0            999 V2000
    4.9032   -3.6751    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.2020   -3.2626    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6148   -2.4376    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9032   -4.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6250   -3.2626    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3395   -3.6751    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0  0  0  0
  3  5  2  0  0  0  0
  1  2  1  1  0  0  0
  4  1  1  0  0  0  0
  5  6  1  0  0  0  0
M  END
> <ID>
CHEBI:18041

> <NAME>
(S)-lactaldehyde

> <STAR>
3

> <SECONDARY_ID>
CHEBI:421; CHEBI:11064; CHEBI:13130; CHEBI:18782

> <SYNONYM>
L-Lactaldehyde; L-lactaldehyde; L-2-Hydroxypropionaldehyde; L-2-hydroxypropionaldehyde; (S)-lactaldehyde; (S)-Lactaldehyde; (S)-lactaldehyde

> <IUPAC_NAME>
(2S)-2-hydroxypropanal

> <FORMULA>
C3H6O2

> <MASS>
74.07854

> <MONOISOTOPIC_MASS>
74.03678

> <CHARGE>
0

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

> <INCHI>
InChI=1S/C3H6O2/c1-3(5)2-4/h2-3,5H,1H3/t3-/m0/s1

> <INCHIKEY>
BSABBBMNWQWLLU-VKHMYHEASA-N

> <CAS_REGISTRY_NUMBER>
598-35-6

> <DRUGBANK_ACCESSION>
DB03776

> <KEGG_COMPOUND_ACCESSION>
C00424

> <KNAPSACK_ACCESSION>
C00019649

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