MolMap_000035 (CED0183367)

Record Information

Version

1.0

Creation Date

2026-04-03 00:48:51 UTC

Update Date

2026-04-03 00:48:51 UTC

Accession Number

CHEM059361

Identification

Common Name

MolMap_000035

Class

Small Molecule

Description

MolMap_000035 is an organic compound with the formula C21H41O7P1 and an average molecular weight of 436.53 g/mol. MolMap_000035 belongs to the glycerophosphates, a subclass of glycerophospholipids within the organic compounds. This substance has been found in or released from one recorded source, specifically Electrical & Electronic Equipment (Thin Magnetic Films).

Contaminant Type

Not Available

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Not Available

Chemical Formula

C₂₁H₄₁O₇P₁

Average Molecular Mass

436.526 g/mol

Monoisotopic Mass

436.259 g/mol

CAS Registry Number

65528-98-5

IUPAC Name

Not Available

Traditional Name

Not Available

SMILES

CCCCCCCCC=C/CCCCCCCC(=O)OC[C@@H](O)COP(O)(O)=O

InChI Identifier

InChI=1S/C21H41O7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(23)27-18-20(22)19-28-29(24,25)26/h9-10,20,22H,2-8,11-19H2,1H3,(H2,24,25,26)/b10-9-/t20-/m1/s1

InChI Key

WRGQSWVCFNIUNZ-GDCKJWNLSA-N

Chemical Taxonomy

Classification

Not classified

Biological Properties

Status

Detected and Not Quantified

Origin

Not Available

Cellular Locations

Not Available

Biofluid Locations

Not Available

Tissue Locations

Not Available

Applications

Not Available

Biological Roles

Not Available

Chemical Roles

Not Available

Organoleptic Effects

Not Available

Physical Properties

State

Not Available

Appearance

Not Available

Experimental Properties

Property	Value
Melting Point	Not Available
Boiling Point	Not Available
Solubility	Not Available

Predicted Properties

Not Available

Spectra

Spectrum Type	Description	Splash Key	Deposition Date	View
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-05n0-1664900000-148c650ac3bceb4b152c	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0ap0-3962100000-1a33e6ed4c6ff2881be4	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0avr-7790000000-f51fa6e6693ad7c3d713	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-01s9-4190400000-e613f5b69c617ba039f4	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-004i-9050000000-939e9b478cb01e4cdf3b	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-004i-9000000000-5a4a918141c40ba8ca5d	Not Available	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, H₂O, predicted)	Not Available	Not Available	View Spectrum
1D NMR	¹H NMR Spectrum (1D, H₂O, predicted)	Not Available	Not Available	View Spectrum

Toxicity Profile

Mechanism of Toxicity

Not Available

Carcinogenicity (IARC Classification)

Not Available

Minimum Risk Level

Not Available

Symptoms

Not Available

Treatment

Not Available

Toxicity Values

Toxicity Value	Unit	Value Range	Organism	Dose Descriptor	Route of Exposure	Predicted or Experimental	Reference
3052.0	Log mg/kg	[1700:5400]	Rat	LD50	oral	predicted	Not Available

Health Effects

Health Effect	Relationship	Direction	Reference

Exposure Sources

Source ID	Source	Sector	Reference
538	Thin Magnetic Films	Electrical & Electronic Equipment	Not Available
607	Rodenticides(1)	Agriculture & land management	Not Available
608	Rodenticides	Agriculture & land management	Not Available
612	Body Washing Or Cleaning Implements	Personal care & cosmetics	Not Available
616	Face Mask Cosmetics	Personal care & cosmetics	Not Available
658	Touch Fasteners	Textiles, leather & furnishings	Not Available

Pathways

3494 pathways

De Novo Triacylglycerol Biosynthesis TG(18:1(9Z)/20:0/20:0)

De Novo Triacylglycerol Biosynthesis TG(18:1(9Z)/20:0/20:1(11Z))

De Novo Triacylglycerol Biosynthesis TG(18:1(9Z)/20:0/20:4(5Z,8Z,11Z,14Z))

De Novo Triacylglycerol Biosynthesis TG(18:1(9Z)/18:1(9Z)/20:0)

De Novo Triacylglycerol Biosynthesis TG(18:1(9Z)/18:1(9Z)/18:1(9Z))

De Novo Triacylglycerol Biosynthesis TG(18:1(9Z)/18:1(9Z)/20:1(11Z))

De Novo Triacylglycerol Biosynthesis TG(18:1(9Z)/18:1(9Z)/18:2(9Z,12Z))

De Novo Triacylglycerol Biosynthesis TG(18:1(9Z)/18:1(9Z)/20:4(5Z,8Z,11Z,14Z))

De Novo Triacylglycerol Biosynthesis TG(18:1(9Z)/20:1(11Z)/20:1(11Z))

De Novo Triacylglycerol Biosynthesis TG(18:1(9Z)/20:1(11Z)/20:4(5Z,8Z,11Z,14Z))

De Novo Triacylglycerol Biosynthesis TG(18:1(9Z)/18:2(9Z,12Z)/20:0)

De Novo Triacylglycerol Biosynthesis TG(18:1(9Z)/18:2(9Z,12Z)/20:1(11Z))

View all 3494 pathways

Targets

Structure	Protein	UniProt ID	Organism	Relationship	Details
Click to view 3D structure	Lysophosphatidic acid receptor 4	Q8BLG2	Mus musculus	Predicted (SEA)	0.155698
Click to view 3D structure	Lysophosphatidic acid receptor 3	Q9UBY5	Humans	Predicted (SEA)	0.155698
Click to view 3D structure	Lysophosphatidic acid receptor 1	Q92633	Humans	Predicted (SEA)	0.0778492
Click to view 3D structure	Lysophosphatidic acid receptor 2	Q9HBW0	Humans	Predicted (SEA)	0.155698
Click to view 3D structure	Autotaxin	Q13822	Humans	Predicted (SEA)	0.233548
Click to view 3D structure	Lysophosphatidic acid receptor 4	Q99677	Humans	Predicted (SEA)	0.155698
Click to view 3D structure	Putative P2Y purinoceptor 10	O00398	Humans	Predicted (SEA)	0.233548
Click to view 3D structure	Lysophosphatidic acid receptor 6	P43657	Humans	Predicted (SEA)	0.155698
Click to view 3D structure	Lysophosphatidic acid receptor 5	Q9H1C0	Humans	Predicted (SEA)	0.155698
Click to view 3D structure	Probable G-protein coupled receptor 34	Q9UPC5	Humans	Predicted (SEA)	0.622794
Click to view 3D structure	Probable G-protein coupled receptor 174	Q9BXC1	Humans	Predicted (SEA)	0.389246
Click to view 3D structure	Transient receptor potential cation channel subfamily V member 1	Q8NER1	Humans	Predicted (SEA)	4.12601
Click to view 3D structure	G protein-coupled receptor 34a	Q6XCC7	Danio rerio	Predicted (SEA)	0.389246
Click to view 3D structure	G protein-coupled receptor 34b	B0S6P9	Danio rerio	Predicted (SEA)	0.389246
Click to view 3D structure	Probable G-protein coupled receptor 34	Q9R1K6	Mus musculus	Predicted (SEA)	1.08989
Click to view 3D structure	Probable G-protein coupled receptor 174	Q3U507	Mus musculus	Predicted (SEA)	0.467095
Click to view 3D structure	Putative P2Y purinoceptor 10	Q8BFU7	Mus musculus	Predicted (SEA)	1.16774
Click to view 3D structure	Peroxisome proliferator-activated receptor alpha	Q07869	Humans	Predicted (SEA)	17.1268
Click to view 3D structure	Peroxisome proliferator-activated receptor delta	Q03181	Humans	Predicted (SEA)	11.6774
Click to view 3D structure	Peroxisome proliferator-activated receptor gamma	P37231	Humans	Predicted (SEA)	20.0851
Click to view 3D structure	Cocaine esterase	O00748	Humans	Predicted (SEA)	1.01204
Click to view 3D structure	Transient receptor potential cation channel subfamily V member 2	Q9WUD2	Rattus norvegicus	Predicted (SEA)	7.16213
Click to view 3D structure	Cannabinoid receptor 1	P20272	Rattus norvegicus	Predicted (SEA)	18.9952
Click to view 3D structure	Fatty-acid amide hydrolase 1	P97612	Rattus norvegicus	Predicted (SEA)	18.9174
Click to view 3D structure	Fatty-acid amide hydrolase 1	O00519	Humans	Predicted (SEA)	28.8042