Marvin  08311012332D          

 32 32  0  0  1  0            999 V2000
   10.9297  -21.3304    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7701  -20.6732    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9297  -22.6669    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0744  -20.6732    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6182  -21.3304    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7701  -23.3243    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0744  -23.3243    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.2346  -21.3268    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6182  -22.6669    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4811  -20.6732    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7701  -24.6463    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.3731  -20.6519    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4811  -23.3243    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.5313  -21.3058    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3609  -19.3227    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.6772  -20.6308    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5434  -22.6278    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.8280  -21.2847    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.9738  -20.6097    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.1246  -21.2637    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.2704  -20.5887    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.4211  -21.2426    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.5671  -20.5676    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.7251  -21.2215    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3295  -21.3281    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.1336  -22.5872    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.9918  -23.2567    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.8412  -22.6027    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.2899  -23.2444    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.4314  -22.5726    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.7391  -22.5515    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.5886  -23.2283    0.0000 C   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  1  0  0  0
  2  5  1  0  0  0  0
  3  6  1  0  0  0  0
  3  7  1  6  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  5 10  1  1  0  0  0
  6 11  1  1  0  0  0
  8 12  1  0  0  0  0
  9 13  1  1  0  0  0
 12 14  1  0  0  0  0
 12 15  1  6  0  0  0
 14 16  1  0  0  0  0
 14 17  1  1  0  0  0
 16 18  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
  6  9  1  0  0  0  0
 10 25  1  0  0  0  0
 21 22  1  0  0  0  0
 20 21  1  0  0  0  0
 19 20  1  0  0  0  0
 27 26  1  0  0  0  0
 18 19  1  0  0  0  0
 28 27  1  0  0  0  0
 26 29  1  0  0  0  0
 29 30  1  0  0  0  0
 24 31  1  0  0  0  0
 30 32  1  0  0  0  0
 32 31  1  0  0  0  0
M  END
> <ID>
CHEBI:16874

> <NAME>
psychosine

> <DEFINITION>
A glycosylsphingoid consisting of sphingosine having a β-D-galactosyl residue attached at the 1-position.

> <STAR>
3

> <SECONDARY_ID>
CHEBI:8619; CHEBI:14966; CHEBI:26370

> <SYNONYM>
sphingosine galactoside; Psychosine; O-Galactosylsphingosine; O-galactosylsphingosine; Galactosylsphingosine; beta-psychosine; 1-O-beta-D-galactosylsphingosine; 1-O-beta-D-galactopyranosylsphingosine; 1-beta-D-galactosylsphingosine; 1-beta-D-galactosphingosine; (2S,3R,4E)-2-amino-1-(beta-D-galactopyranosyloxy)-3-hydroxyoctadec-4-ene

> <IUPAC_NAME>
(2S,3R,4E)-2-amino-3-hydroxyoctadec-4-en-1-yl beta-D-galactopyranoside

> <FORMULA>
C24H47NO7

> <MASS>
461.63250

> <MONOISOTOPIC_MASS>
461.33525

> <CHARGE>
0

> <SMILES>
CCCCCCCCCCCCC\C=C\[C@@H](O)[C@@H](N)CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O

> <INCHI>
InChI=1S/C24H47NO7/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19(27)18(25)17-31-24-23(30)22(29)21(28)20(16-26)32-24/h14-15,18-24,26-30H,2-13,16-17,25H2,1H3/b15-14+/t18-,19+,20+,21-,22-,23+,24+/m0/s1

> <INCHIKEY>
HHJTWTPUPVQKNA-PIIMIWFASA-N

> <BEILSTEIN_REGISTRY_NUMBER>
52571

> <CAS_REGISTRY_NUMBER>
2238-90-6

> <REAXYS_REGISTRY_NUMBER>
52571

> <CHEMIDPLUS>
2238-90-6

> <KEGG_COMPOUND_ACCESSION>
C01747

> <LIPID_MAPS_INSTANCE_ACCESSION>
LMSP07000001

> <METACYC_ACCESSION>
PSYCHOSINE

> <WIKIPEDIA_ACCESSION>
Psychosine

> <PUBMED_CITATION>
20209561; 21259322; 29351991; 7542630

$$$$