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Record Information

Version

5.0

Status

Detected but not Quantified

Creation Date

2021-09-11 06:51:41 UTC

Update Date

2021-09-26 23:01:04 UTC

HMDB ID

HMDB0249917

Secondary Accession Numbers

None

Metabolite Identification

Common Name

1-O-Myristoyl-2-acetyl-glycerol

Description

1-O-Myristoyl-2-acetyl-glycerol, also known as 1-MAG or glycerol 1-myristate 2-acetate, belongs to the class of organic compounds known as 1,2-diacylglycerols. These are diacylglycerols containing a glycerol acylated at positions 1 and 2. Based on a literature review very few articles have been published on 1-O-Myristoyl-2-acetyl-glycerol. This compound has been identified in human blood as reported by (PMID: 31557052 ). 1-o-myristoyl-2-acetyl-glycerol is not a naturally occurring metabolite and is only found in those individuals exposed to this compound or its derivatives. Technically 1-O-Myristoyl-2-acetyl-glycerol is part of the human exposome. The exposome can be defined as the collection of all the exposures of an individual in a lifetime and how those exposures relate to health. An individual's exposure begins before birth and includes insults from environmental and occupational sources.

Structure

MOL 3D MOL SDF 3D SDF PDB 3D PDB SMILES InChI

HMDB0249917
     RDKit          3D
1-O-Myristoyl-2-acetyl-glycerol
 60 59  0  0  0  0  0  0  0  0999 V2000
    5.3758   -2.4603    0.6280 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3659   -1.7565   -0.2506 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0171   -0.6065    0.4058 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1884    0.4758    0.9582 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3143    1.2775    0.1040 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1795    0.6618   -0.6084 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3929    1.7242   -1.4062 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8258    2.7946   -0.5405 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8874    2.2907    0.5087 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6976    1.5721   -0.0787 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2403    1.0706    0.9968 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4063    0.3628    0.3428 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3476   -0.1407    1.4176 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5179   -0.8487    0.8087 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3951   -1.3290    1.5578 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6041   -0.9560   -0.5589 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6043   -1.5623   -1.2970 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9772   -0.9578   -1.1883 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9360    0.4229   -1.7963 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1995    1.0118   -1.8332 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4398   -1.0039    0.1072 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5792   -1.7038    0.4501 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0980   -1.7647    1.8588 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1714   -2.2971   -0.4867 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8762   -3.2635    0.0229 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9321   -2.9002    1.4860 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6090   -1.7371    0.9625 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2039   -2.5410   -0.4280 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9778   -1.5282   -1.2319 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6970   -1.0522    1.2131 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7780   -0.1115   -0.2938 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9356    1.1753    1.5002 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5645    0.0958    1.8469 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9567    1.7719   -0.7123 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9376    2.1660    0.6988 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4380   -0.0836   -1.3733 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4161    0.2530    0.1126 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1078    2.1013   -2.1647 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5789    1.2068   -1.9455 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6127    3.4010   -0.0774 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2313    3.5099   -1.1676 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5527    3.1943    1.0966 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3917    1.6180    1.2187 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0507    0.7213   -0.6902 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1781    2.2807   -0.7534 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6127    1.9849    1.5370 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2531    0.4440    1.7376 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9812   -0.4636   -0.2541 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9356    1.0896   -0.2965 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6594    0.6939    2.0739 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7799   -0.8590    2.0369 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2950   -1.5163   -2.3766 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7033   -2.6587   -1.0818 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6511   -1.5543   -1.8725 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6501    0.2713   -2.8787 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1645    1.0687   -1.3719 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7964    0.3896   -2.3005 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9925   -0.8060    2.3828 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5958   -2.6150    2.3595 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.1901   -2.0243    1.7640 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  2  0
 14 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 18 21  1  0
 21 22  1  0
 22 23  1  0
 22 24  2  0
  1 25  1  0
  1 26  1  0
  1 27  1  0
  2 28  1  0
  2 29  1  0
  3 30  1  0
  3 31  1  0
  4 32  1  0
  4 33  1  0
  5 34  1  0
  5 35  1  0
  6 36  1  0
  6 37  1  0
  7 38  1  0
  7 39  1  0
  8 40  1  0
  8 41  1  0
  9 42  1  0
  9 43  1  0
 10 44  1  0
 10 45  1  0
 11 46  1  0
 11 47  1  0
 12 48  1  0
 12 49  1  0
 13 50  1  0
 13 51  1  0
 17 52  1  0
 17 53  1  0
 18 54  1  0
 19 55  1  0
 19 56  1  0
 20 57  1  0
 23 58  1  0
 23 59  1  0
 23 60  1  0
M  END


  Mrv1652309112108512D          

 24 23  0  0  0  0            999 V2000
    8.4711    5.7158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1855    6.1283    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9000    5.7158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6145    6.1283    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3289    5.7158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0434    6.1283    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7579    5.7158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4724    6.1283    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1868    5.7158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9013    6.1283    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6158    5.7158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.3302    6.1283    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.0447    5.7158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.7592    6.1283    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.7592    6.9533    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.4737    5.7158    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.1881    6.1283    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.9026    5.7158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.9026    4.8908    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6171    4.4783    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.6171    6.1283    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.3315    5.7158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.0460    6.1283    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.3315    4.8908    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 18 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 22 24  1  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0249917

> <DATABASE_NAME>
hmdb

> <SMILES>
CCCCCCCCCCCCCC(=O)OCC(CO)OC(C)=O

> <INCHI_IDENTIFIER>
InChI=1S/C19H36O5/c1-3-4-5-6-7-8-9-10-11-12-13-14-19(22)23-16-18(15-20)24-17(2)21/h18,20H,3-16H2,1-2H3

> <INCHI_KEY>
DUCVQOXJVCRDDH-UHFFFAOYSA-N

> <FORMULA>
C19H36O5

> <MOLECULAR_WEIGHT>
344.492

> <EXACT_MASS>
344.256274259

> <JCHEM_ACCEPTOR_COUNT>
3

> <JCHEM_ATOM_COUNT>
60

> <JCHEM_AVERAGE_POLARIZABILITY>
42.25753225710753

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
2-(acetyloxy)-3-hydroxypropyl tetradecanoate

> <ALOGPS_LOGP>
5.65

> <JCHEM_LOGP>
4.634027959999999

> <ALOGPS_LOGS>
-5.05

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_ACIDIC>
14.577798702798724

> <JCHEM_PKA_STRONGEST_BASIC>
-2.9834708473958367

> <JCHEM_POLAR_SURFACE_AREA>
72.83000000000001

> <JCHEM_REFRACTIVITY>
94.05699999999999

> <JCHEM_ROTATABLE_BOND_COUNT>
18

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
3.07e-03 g/l

> <JCHEM_TRADITIONAL_IUPAC>
2-(acetyloxy)-3-hydroxypropyl tetradecanoate

> <JCHEM_VEBER_RULE>
0

$$$$

HMDB0249917
     RDKit          3D
1-O-Myristoyl-2-acetyl-glycerol
 60 59  0  0  0  0  0  0  0  0999 V2000
    5.3758   -2.4603    0.6280 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3659   -1.7565   -0.2506 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0171   -0.6065    0.4058 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1884    0.4758    0.9582 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3143    1.2775    0.1040 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1795    0.6618   -0.6084 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3929    1.7242   -1.4062 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8258    2.7946   -0.5405 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8874    2.2907    0.5087 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6976    1.5721   -0.0787 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2403    1.0706    0.9968 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4063    0.3628    0.3428 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3476   -0.1407    1.4176 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5179   -0.8487    0.8087 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3951   -1.3290    1.5578 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6041   -0.9560   -0.5589 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6043   -1.5623   -1.2970 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9772   -0.9578   -1.1883 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9360    0.4229   -1.7963 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1995    1.0118   -1.8332 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4398   -1.0039    0.1072 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5792   -1.7038    0.4501 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0980   -1.7647    1.8588 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1714   -2.2971   -0.4867 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8762   -3.2635    0.0229 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9321   -2.9002    1.4860 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6090   -1.7371    0.9625 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2039   -2.5410   -0.4280 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9778   -1.5282   -1.2319 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6970   -1.0522    1.2131 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7780   -0.1115   -0.2938 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9356    1.1753    1.5002 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5645    0.0958    1.8469 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9567    1.7719   -0.7123 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9376    2.1660    0.6988 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4380   -0.0836   -1.3733 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4161    0.2530    0.1126 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1078    2.1013   -2.1647 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5789    1.2068   -1.9455 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6127    3.4010   -0.0774 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2313    3.5099   -1.1676 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5527    3.1943    1.0966 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3917    1.6180    1.2187 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0507    0.7213   -0.6902 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1781    2.2807   -0.7534 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6127    1.9849    1.5370 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2531    0.4440    1.7376 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9812   -0.4636   -0.2541 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9356    1.0896   -0.2965 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6594    0.6939    2.0739 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7799   -0.8590    2.0369 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2950   -1.5163   -2.3766 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7033   -2.6587   -1.0818 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6511   -1.5543   -1.8725 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6501    0.2713   -2.8787 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1645    1.0687   -1.3719 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7964    0.3896   -2.3005 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9925   -0.8060    2.3828 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5958   -2.6150    2.3595 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.1901   -2.0243    1.7640 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  2  0
 14 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 18 21  1  0
 21 22  1  0
 22 23  1  0
 22 24  2  0
  1 25  1  0
  1 26  1  0
  1 27  1  0
  2 28  1  0
  2 29  1  0
  3 30  1  0
  3 31  1  0
  4 32  1  0
  4 33  1  0
  5 34  1  0
  5 35  1  0
  6 36  1  0
  6 37  1  0
  7 38  1  0
  7 39  1  0
  8 40  1  0
  8 41  1  0
  9 42  1  0
  9 43  1  0
 10 44  1  0
 10 45  1  0
 11 46  1  0
 11 47  1  0
 12 48  1  0
 12 49  1  0
 13 50  1  0
 13 51  1  0
 17 52  1  0
 17 53  1  0
 18 54  1  0
 19 55  1  0
 19 56  1  0
 20 57  1  0
 23 58  1  0
 23 59  1  0
 23 60  1  0
M  END

HEADER    PROTEIN                                 11-SEP-21   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   11-SEP-21         0                                  
HETATM    1  C   UNK     0      15.813  10.669   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      17.146  11.439   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      18.480  10.669   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      19.814  11.439   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      21.147  10.669   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      22.481  11.439   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      23.815  10.669   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      25.148  11.439   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      26.482  10.669   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      27.816  11.439   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      29.149  10.669   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      30.483  11.439   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      31.817  10.669   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0      33.150  11.439   0.000  0.00  0.00           C+0
HETATM   15  O   UNK     0      33.150  12.979   0.000  0.00  0.00           O+0
HETATM   16  O   UNK     0      34.484  10.669   0.000  0.00  0.00           O+0
HETATM   17  C   UNK     0      35.818  11.439   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0      37.152  10.669   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0      37.152   9.129   0.000  0.00  0.00           C+0
HETATM   20  O   UNK     0      38.485   8.359   0.000  0.00  0.00           O+0
HETATM   21  O   UNK     0      38.485  11.439   0.000  0.00  0.00           O+0
HETATM   22  C   UNK     0      39.819  10.669   0.000  0.00  0.00           C+0
HETATM   23  O   UNK     0      41.153  11.439   0.000  0.00  0.00           O+0
HETATM   24  C   UNK     0      39.819   9.129   0.000  0.00  0.00           C+0
CONECT    1    2                                                            
CONECT    2    1    3                                                       
CONECT    3    2    4                                                       
CONECT    4    3    5                                                       
CONECT    5    4    6                                                       
CONECT    6    5    7                                                       
CONECT    7    6    8                                                       
CONECT    8    7    9                                                       
CONECT    9    8   10                                                       
CONECT   10    9   11                                                       
CONECT   11   10   12                                                       
CONECT   12   11   13                                                       
CONECT   13   12   14                                                       
CONECT   14   13   15   16                                                  
CONECT   15   14                                                            
CONECT   16   14   17                                                       
CONECT   17   16   18                                                       
CONECT   18   17   19   21                                                  
CONECT   19   18   20                                                       
CONECT   20   19                                                            
CONECT   21   18   22                                                       
CONECT   22   21   23   24                                                  
CONECT   23   22                                                            
CONECT   24   22                                                            
MASTER        0    0    0    0    0    0    0    0   24    0   46    0
END

COMPND    HMDB0249917
HETATM    1  C1  UNL     1       5.376  -2.460   0.628  1.00  0.00           C  
HETATM    2  C2  UNL     1       6.366  -1.757  -0.251  1.00  0.00           C  
HETATM    3  C3  UNL     1       7.017  -0.606   0.406  1.00  0.00           C  
HETATM    4  C4  UNL     1       6.188   0.476   0.958  1.00  0.00           C  
HETATM    5  C5  UNL     1       5.314   1.278   0.104  1.00  0.00           C  
HETATM    6  C6  UNL     1       4.180   0.662  -0.608  1.00  0.00           C  
HETATM    7  C7  UNL     1       3.393   1.724  -1.406  1.00  0.00           C  
HETATM    8  C8  UNL     1       2.826   2.795  -0.541  1.00  0.00           C  
HETATM    9  C9  UNL     1       1.887   2.291   0.509  1.00  0.00           C  
HETATM   10  C10 UNL     1       0.698   1.572  -0.079  1.00  0.00           C  
HETATM   11  C11 UNL     1      -0.240   1.071   0.997  1.00  0.00           C  
HETATM   12  C12 UNL     1      -1.406   0.363   0.343  1.00  0.00           C  
HETATM   13  C13 UNL     1      -2.348  -0.141   1.418  1.00  0.00           C  
HETATM   14  C14 UNL     1      -3.518  -0.849   0.809  1.00  0.00           C  
HETATM   15  O1  UNL     1      -4.395  -1.329   1.558  1.00  0.00           O  
HETATM   16  O2  UNL     1      -3.604  -0.956  -0.559  1.00  0.00           O  
HETATM   17  C15 UNL     1      -4.604  -1.562  -1.297  1.00  0.00           C  
HETATM   18  C16 UNL     1      -5.977  -0.958  -1.188  1.00  0.00           C  
HETATM   19  C17 UNL     1      -5.936   0.423  -1.796  1.00  0.00           C  
HETATM   20  O3  UNL     1      -7.200   1.012  -1.833  1.00  0.00           O  
HETATM   21  O4  UNL     1      -6.440  -1.004   0.107  1.00  0.00           O  
HETATM   22  C18 UNL     1      -7.579  -1.704   0.450  1.00  0.00           C  
HETATM   23  C19 UNL     1      -8.098  -1.765   1.859  1.00  0.00           C  
HETATM   24  O5  UNL     1      -8.171  -2.297  -0.487  1.00  0.00           O  
HETATM   25  H1  UNL     1       4.876  -3.263   0.023  1.00  0.00           H  
HETATM   26  H2  UNL     1       5.932  -2.900   1.486  1.00  0.00           H  
HETATM   27  H3  UNL     1       4.609  -1.737   0.962  1.00  0.00           H  
HETATM   28  H4  UNL     1       7.204  -2.541  -0.428  1.00  0.00           H  
HETATM   29  H5  UNL     1       5.978  -1.528  -1.232  1.00  0.00           H  
HETATM   30  H6  UNL     1       7.697  -1.052   1.213  1.00  0.00           H  
HETATM   31  H7  UNL     1       7.778  -0.112  -0.294  1.00  0.00           H  
HETATM   32  H8  UNL     1       6.936   1.175   1.500  1.00  0.00           H  
HETATM   33  H9  UNL     1       5.565   0.096   1.847  1.00  0.00           H  
HETATM   34  H10 UNL     1       5.957   1.772  -0.712  1.00  0.00           H  
HETATM   35  H11 UNL     1       4.938   2.166   0.699  1.00  0.00           H  
HETATM   36  H12 UNL     1       4.438  -0.084  -1.373  1.00  0.00           H  
HETATM   37  H13 UNL     1       3.416   0.253   0.113  1.00  0.00           H  
HETATM   38  H14 UNL     1       4.108   2.101  -2.165  1.00  0.00           H  
HETATM   39  H15 UNL     1       2.579   1.207  -1.946  1.00  0.00           H  
HETATM   40  H16 UNL     1       3.613   3.401  -0.077  1.00  0.00           H  
HETATM   41  H17 UNL     1       2.231   3.510  -1.168  1.00  0.00           H  
HETATM   42  H18 UNL     1       1.553   3.194   1.097  1.00  0.00           H  
HETATM   43  H19 UNL     1       2.392   1.618   1.219  1.00  0.00           H  
HETATM   44  H20 UNL     1       1.051   0.721  -0.690  1.00  0.00           H  
HETATM   45  H21 UNL     1       0.178   2.281  -0.753  1.00  0.00           H  
HETATM   46  H22 UNL     1      -0.613   1.985   1.537  1.00  0.00           H  
HETATM   47  H23 UNL     1       0.253   0.444   1.738  1.00  0.00           H  
HETATM   48  H24 UNL     1      -0.981  -0.464  -0.254  1.00  0.00           H  
HETATM   49  H25 UNL     1      -1.936   1.090  -0.297  1.00  0.00           H  
HETATM   50  H26 UNL     1      -2.659   0.694   2.074  1.00  0.00           H  
HETATM   51  H27 UNL     1      -1.780  -0.859   2.037  1.00  0.00           H  
HETATM   52  H28 UNL     1      -4.295  -1.516  -2.377  1.00  0.00           H  
HETATM   53  H29 UNL     1      -4.703  -2.659  -1.082  1.00  0.00           H  
HETATM   54  H30 UNL     1      -6.651  -1.554  -1.872  1.00  0.00           H  
HETATM   55  H31 UNL     1      -5.650   0.271  -2.879  1.00  0.00           H  
HETATM   56  H32 UNL     1      -5.165   1.069  -1.372  1.00  0.00           H  
HETATM   57  H33 UNL     1      -7.796   0.390  -2.300  1.00  0.00           H  
HETATM   58  H34 UNL     1      -7.992  -0.806   2.383  1.00  0.00           H  
HETATM   59  H35 UNL     1      -7.596  -2.615   2.360  1.00  0.00           H  
HETATM   60  H36 UNL     1      -9.190  -2.024   1.764  1.00  0.00           H  
CONECT    1    2   25   26   27
CONECT    2    3   28   29
CONECT    3    4   30   31
CONECT    4    5   32   33
CONECT    5    6   34   35
CONECT    6    7   36   37
CONECT    7    8   38   39
CONECT    8    9   40   41
CONECT    9   10   42   43
CONECT   10   11   44   45
CONECT   11   12   46   47
CONECT   12   13   48   49
CONECT   13   14   50   51
CONECT   14   15   15   16
CONECT   16   17
CONECT   17   18   52   53
CONECT   18   19   21   54
CONECT   19   20   55   56
CONECT   20   57
CONECT   21   22
CONECT   22   23   24   24
CONECT   23   58   59   60
END

HMDB0249917
     RDKit          3D
1-O-Myristoyl-2-acetyl-glycerol
 60 59  0  0  0  0  0  0  0  0999 V2000
    5.3758   -2.4603    0.6280 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3659   -1.7565   -0.2506 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0171   -0.6065    0.4058 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1884    0.4758    0.9582 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3143    1.2775    0.1040 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1795    0.6618   -0.6084 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3929    1.7242   -1.4062 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8258    2.7946   -0.5405 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8874    2.2907    0.5087 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6976    1.5721   -0.0787 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2403    1.0706    0.9968 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4063    0.3628    0.3428 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3476   -0.1407    1.4176 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5179   -0.8487    0.8087 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3951   -1.3290    1.5578 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6041   -0.9560   -0.5589 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6043   -1.5623   -1.2970 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9772   -0.9578   -1.1883 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9360    0.4229   -1.7963 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1995    1.0118   -1.8332 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4398   -1.0039    0.1072 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5792   -1.7038    0.4501 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0980   -1.7647    1.8588 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1714   -2.2971   -0.4867 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8762   -3.2635    0.0229 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9321   -2.9002    1.4860 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6090   -1.7371    0.9625 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2039   -2.5410   -0.4280 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9778   -1.5282   -1.2319 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6970   -1.0522    1.2131 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7780   -0.1115   -0.2938 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9356    1.1753    1.5002 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5645    0.0958    1.8469 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9567    1.7719   -0.7123 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9376    2.1660    0.6988 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4380   -0.0836   -1.3733 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4161    0.2530    0.1126 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1078    2.1013   -2.1647 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5789    1.2068   -1.9455 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6127    3.4010   -0.0774 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2313    3.5099   -1.1676 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5527    3.1943    1.0966 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3917    1.6180    1.2187 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0507    0.7213   -0.6902 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1781    2.2807   -0.7534 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6127    1.9849    1.5370 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2531    0.4440    1.7376 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9812   -0.4636   -0.2541 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9356    1.0896   -0.2965 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6594    0.6939    2.0739 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7799   -0.8590    2.0369 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2950   -1.5163   -2.3766 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7033   -2.6587   -1.0818 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6511   -1.5543   -1.8725 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6501    0.2713   -2.8787 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1645    1.0687   -1.3719 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7964    0.3896   -2.3005 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9925   -0.8060    2.3828 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5958   -2.6150    2.3595 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.1901   -2.0243    1.7640 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  2  0
 14 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 18 21  1  0
 21 22  1  0
 22 23  1  0
 22 24  2  0
  1 25  1  0
  1 26  1  0
  1 27  1  0
  2 28  1  0
  2 29  1  0
  3 30  1  0
  3 31  1  0
  4 32  1  0
  4 33  1  0
  5 34  1  0
  5 35  1  0
  6 36  1  0
  6 37  1  0
  7 38  1  0
  7 39  1  0
  8 40  1  0
  8 41  1  0
  9 42  1  0
  9 43  1  0
 10 44  1  0
 10 45  1  0
 11 46  1  0
 11 47  1  0
 12 48  1  0
 12 49  1  0
 13 50  1  0
 13 51  1  0
 17 52  1  0
 17 53  1  0
 18 54  1  0
 19 55  1  0
 19 56  1  0
 20 57  1  0
 23 58  1  0
 23 59  1  0
 23 60  1  0
M  END

View in JSmol View Stereo Labels

Synonyms

Value	Source
1-MAG	MeSH
Glycerol 1-myristate 2-acetate	MeSH

Chemical Formula

C₁₉H₃₆O₅

Average Molecular Weight

344.492

Monoisotopic Molecular Weight

344.256274259

IUPAC Name

2-(acetyloxy)-3-hydroxypropyl tetradecanoate

Traditional Name

2-(acetyloxy)-3-hydroxypropyl tetradecanoate

CAS Registry Number

Not Available

SMILES

CCCCCCCCCCCCCC(=O)OCC(CO)OC(C)=O

InChI Identifier

InChI=1S/C19H36O5/c1-3-4-5-6-7-8-9-10-11-12-13-14-19(22)23-16-18(15-20)24-17(2)21/h18,20H,3-16H2,1-2H3

InChI Key

DUCVQOXJVCRDDH-UHFFFAOYSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as 1,2-diacylglycerols. These are diacylglycerols containing a glycerol acylated at positions 1 and 2.

Kingdom

Organic compounds

Super Class

Lipids and lipid-like molecules

Class

Glycerolipids

Sub Class

Diradylglycerols

Direct Parent

1,2-diacylglycerols

Alternative Parents

Substituents

1,2-acyl-sn-glycerol
Fatty acid ester
Fatty acyl
Dicarboxylic acid or derivatives
Carboxylic acid ester
Carboxylic acid derivative
Organic oxygen compound
Organic oxide
Hydrocarbon derivative
Primary alcohol
Organooxygen compound
Carbonyl group
Alcohol
Aliphatic acyclic compound

Molecular Framework

Aliphatic acyclic compounds

External Descriptors

Not Available

Ontology

Physiological effect

Not Available

Disposition

Biological location

Non-excretory biofluid

Biofluid or Excreta

Blood (PMID: 31557052)

Process

Not Available

Role

Not Available

Physical Properties

State

Not Available

Experimental Molecular Properties

Property	Value	Reference
Melting Point	Not Available	Not Available
Boiling Point	Not Available	Not Available
Water Solubility	Not Available	Not Available
LogP	Not Available	Not Available

Experimental Chromatographic Properties

Not Available

Predicted Molecular Properties

Property	Value	Source
logP	5.65	ALOGPS
logP	4.63	ChemAxon
logS	-5	ALOGPS
pKa (Strongest Acidic)	14.58	ChemAxon
pKa (Strongest Basic)	-3	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	3	ChemAxon
Hydrogen Donor Count	1	ChemAxon
Polar Surface Area	72.83 Å²	ChemAxon
Rotatable Bond Count	18	ChemAxon
Refractivity	94.06 m³·mol⁻¹	ChemAxon
Polarizability	42.26 Å³	ChemAxon
Number of Rings	0	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	Yes	ChemAxon
Ghose Filter	Yes	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

Predicted Chromatographic Properties

Predicted Collision Cross Sections

Predictor	Adduct Type	CCS Value (Å²)	Reference
DeepCCS	[M+H]+	192.949	30932474
DeepCCS	[M-H]-	190.398	30932474
DeepCCS	[M-2H]-	224.309	30932474
DeepCCS	[M+Na]+	200.599	30932474
AllCCS	[M+H]+	192.7	32859911
AllCCS	[M+H-H2O]+	190.2	32859911
AllCCS	[M+NH4]+	195.0	32859911
AllCCS	[M+Na]+	195.7	32859911
AllCCS	[M-H]-	189.8	32859911
AllCCS	[M+Na-2H]-	191.2	32859911
AllCCS	[M+HCOO]-	192.9	32859911

Predicted Kovats Retention Indices

Underivatized

Metabolite	SMILES	Kovats RI Value	Column Type	Reference
1-O-Myristoyl-2-acetyl-glycerol	CCCCCCCCCCCCCC(=O)OCC(CO)OC(C)=O	3330.6	Standard polar	33892256
1-O-Myristoyl-2-acetyl-glycerol	CCCCCCCCCCCCCC(=O)OCC(CO)OC(C)=O	2329.5	Standard non polar	33892256
1-O-Myristoyl-2-acetyl-glycerol	CCCCCCCCCCCCCC(=O)OCC(CO)OC(C)=O	2415.9	Semi standard non polar	33892256

Spectra

GC-MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Predicted GC-MS	Predicted GC-MS Spectrum - 1-O-Myristoyl-2-acetyl-glycerol GC-MS (Non-derivatized) - 70eV, Positive	splash10-01qc-9670000000-63a62e708debbc060bc1	2021-09-23	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 1-O-Myristoyl-2-acetyl-glycerol GC-MS (Non-derivatized) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 1-O-Myristoyl-2-acetyl-glycerol GC-MS (TMS_1_1) - 70eV, Positive	Not Available	2021-11-03	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 1-O-Myristoyl-2-acetyl-glycerol GC-MS (TBDMS_1_1) - 70eV, Positive	Not Available	2021-11-03	Wishart Lab	View Spectrum

MS/MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 1-O-Myristoyl-2-acetyl-glycerol 10V, Positive-QTOF	splash10-014i-0009000000-76d98eb990a817d33ecb	2021-10-12	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 1-O-Myristoyl-2-acetyl-glycerol 20V, Positive-QTOF	splash10-014i-0009000000-76d98eb990a817d33ecb	2021-10-12	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 1-O-Myristoyl-2-acetyl-glycerol 40V, Positive-QTOF	splash10-0a50-1719000000-f8e4df8357bce13d1b74	2021-10-12	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 1-O-Myristoyl-2-acetyl-glycerol 10V, Positive-QTOF	splash10-03di-0009000000-88368969d80893c66c08	2021-10-12	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 1-O-Myristoyl-2-acetyl-glycerol 20V, Positive-QTOF	splash10-0179-0889000000-eae54578440ce474bfc9	2021-10-12	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 1-O-Myristoyl-2-acetyl-glycerol 40V, Positive-QTOF	splash10-02tr-0889000000-2f7fdc8bd3cfe7e38c0d	2021-10-12	Wishart Lab	View Spectrum

Biological Properties

Cellular Locations

Not Available

Biospecimen Locations

Blood

Tissue Locations

Not Available

Pathways

Not Available

Name	SMPDB/PathBank	KEGG

Normal Concentrations

Biospecimen	Status	Value	Age	Sex	Condition	Reference	Details
Blood	Detected but not Quantified	Not Quantified	Not Specified	Not Specified	Normal	31557052	details

Abnormal Concentrations

Not Available

Associated Disorders and Diseases

Disease References

None

Associated OMIM IDs

None

External Links

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FooDB ID

Not Available

KNApSAcK ID

Not Available

Chemspider ID

111145

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

124835

PDB ID

Not Available

ChEBI ID

Not Available

Food Biomarker Ontology

Not Available

VMH ID

Not Available

MarkerDB ID

Not Available

Good Scents ID

Not Available

References

Synthesis Reference

Not Available

Material Safety Data Sheet (MSDS)

Not Available

General References

Barupal DK, Fiehn O: Generating the Blood Exposome Database Using a Comprehensive Text Mining and Database Fusion Approach. Environ Health Perspect. 2019 Sep;127(9):97008. doi: 10.1289/EHP4713. Epub 2019 Sep 26. [PubMed:31557052 ]

Showing metabocard for 1-O-Myristoyl-2-acetyl-glycerol (HMDB0249917)

MOL for HMDB0249917 (1-O-Myristoyl-2-acetyl-glycerol)

3D MOL for HMDB0249917 (1-O-Myristoyl-2-acetyl-glycerol)

3D SDF for HMDB0249917 (1-O-Myristoyl-2-acetyl-glycerol)

3D-SDF for HMDB0249917 (1-O-Myristoyl-2-acetyl-glycerol)

PDB for HMDB0249917 (1-O-Myristoyl-2-acetyl-glycerol)

3D PDB for HMDB0249917 (1-O-Myristoyl-2-acetyl-glycerol)

SMILES for HMDB0249917 (1-O-Myristoyl-2-acetyl-glycerol)

INCHI for HMDB0249917 (1-O-Myristoyl-2-acetyl-glycerol)

Structure for HMDB0249917 (1-O-Myristoyl-2-acetyl-glycerol)

3D Structure for HMDB0249917 (1-O-Myristoyl-2-acetyl-glycerol)

Predicted Collision Cross Sections

Predicted Kovats Retention Indices

Underivatized

GC-MS Spectra

MS/MS Spectra