68841
  -OEChem-01300816292D

 19 18  0     1  0  0  0  0  0999 V2000
    3.4030   -0.4050    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    0.0950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -0.9050    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9030    0.4610    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331    0.0950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9030   -1.2710    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   -1.4050    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    1.0950    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    0.0950    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.1350   -0.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   -0.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5380    0.4050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7365   -0.8799    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5335   -0.8799    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5380    1.4050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    1.4050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.5950    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2130    0.9980    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2700   -0.2150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  1  6  2  0  0  0  0
  2 10  1  0  0  0  0
  3 17  1  0  0  0  0
  4 18  1  0  0  0  0
  5 11  1  0  0  0  0
  5 19  1  0  0  0  0
  7 11  2  0  0  0  0
  9  8  1  6  0  0  0
  8 15  1  0  0  0  0
  8 16  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
  9 12  1  0  0  0  0
 10 13  1  0  0  0  0
 10 14  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_ID_TYPE>
1

> <PUBCHEM_COMPOUND_CID>
68841

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
186

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
7

> <PUBCHEM_CACTVS_HBOND_DONOR>
4

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
4

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBCOAIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAHgAQCCAACCjhgAYACABAAxAIQACQCIAAAAAAAAAAAIGAAAACAAQAAAAAQAABMAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
(2S)-2-amino-3-phosphonooxy-propanoic acid

> <PUBCHEM_IUPAC_CAS_NAME>
(2S)-2-amino-3-phosphonooxypropanoic acid

> <PUBCHEM_IUPAC_NAME>
(2S)-2-amino-3-phosphonooxypropanoic acid

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
(2S)-2-amino-3-phosphonooxy-propanoic acid

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
(2S)-2-amino-3-phosphonooxy-propionic acid

> <PUBCHEM_NIST_INCHI>
InChI=1/C3H8NO6P/c4-2(3(5)6)1-10-11(7,8)9/h2H,1,4H2,(H,5,6)(H2,7,8,9)/t2-/m0/s1/f/h5,7-8H

> <PUBCHEM_CACTVS_XLOGP>
-5.2

> <PUBCHEM_EXACT_MASS>
185.008924

> <PUBCHEM_MOLECULAR_FORMULA>
C3H8NO6P

> <PUBCHEM_MOLECULAR_WEIGHT>
185.072481

> <PUBCHEM_OPENEYE_CAN_SMILES>
C(C(C(=O)O)N)OP(=O)(O)O

> <PUBCHEM_OPENEYE_ISO_SMILES>
C([C@@H](C(=O)O)N)OP(=O)(O)O

> <PUBCHEM_CACTVS_TPSA>
130

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
185.008924

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
11

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
1

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_DEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_UDEF_STEREO_COUNT>
0

> <PUBCHEM_ISOTOPIC_ATOM_COUNT>
0

> <PUBCHEM_COMPONENT_COUNT>
1

> <PUBCHEM_CACTVS_TAUTO_COUNT>
1

> <PUBCHEM_SUBSTANCE_ID>
4251

> <PUBCHEM_SUBSTANCE_VERSION>
3

> <PUBCHEM_EXT_DATASOURCE_NAME>
KEGG

> <PUBCHEM_EXT_DATASOURCE_REGID>
C01005

> <PUBCHEM_SUBSTANCE_COMMENT>
Is a reactant or product of enzyme EC 2.5.1.65
Is a reactant or product of enzyme EC 2.6.1.52
Is a reactant or product of enzyme EC 2.7.1.80
Is a reactant or product of enzyme EC 3.1.3.3

> <PUBCHEM_SUBSTANCE_SYNONYM>
3-Phosphoserine
407-41-0
C01005
L-O-Phosphoserine
O-Phospho-L-serine

> <PUBCHEM_GENERIC_REGISTRY_NAME>
407-41-0

> <PUBCHEM_XREF_EXT_ID>
C01005

> <PUBCHEM_GENBANK_PROTEIN_ID>
3891550
3891551
3891552
3891553
6729901
14719642
14719643
15826095
15826096
20151215
20151216
21730678
21730679
21730680
21730681
21730682
21730683
29726390
29726391
29726393
29726394
31615696
31615697
58177080
58177081
58177086
67464100
67464101
67464102
67464103
67464104
67464105
67464106
67464107
67464108
67464109
67464110
67464111
67464112
67464113
67464114
67464115
67464116
67464117
93278950
93278951

> <PUBCHEM_EXT_DATASOURCE_URL>
http://www.genome.jp/kegg/kegg2.html

> <PUBCHEM_EXT_SUBSTANCE_URL>
http://www.genome.jp/dbget-bin/www_bget?cpd+C01005

> <PUBCHEM_CID_ASSOCIATIONS>
68841  1

> <PUBCHEM_BONDANNOTATIONS>
9  8  6

$$$$