MiMeDB: Showing metabocard for Palmitoyl sphingomyelin (MMDBc0000686)

Record Information

Version

1.0

Status

Detected and Quantified

Creation Date

2020-12-10 18:52:43 UTC

Update Date

2022-08-31 06:10:58 UTC

MiMeDB ID

MMDBc0000686

Metabolite Identification

Common Name

Palmitoyl sphingomyelin

Description

Structure

MOL SDF PDB SMILES InChI

Synonyms

Not Available

Chemical Formula

C₃₉H₇₉N₂O₆P

Average Molecular Weight

703.0281

Monoisotopic Molecular Weight

702.567574782

IUPAC Name

Not Available

Traditional Name

Not Available

CAS Registry Number

Not Available

SMILES

Not Available

InChI Identifier

InChI=1S/C39H79N2O6P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-38(42)37(36-47-48(44,45)46-35-34-41(3,4)5)40-39(43)33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h30,32,37-38,42H,6-29,31,33-36H2,1-5H3,(H-,40,43,44,45)/b32-30+/t37-,38+/m0/s1

InChI Key

RWKUXQNLWDTSLO-GWQJGLRPSA-N

Chemical Taxonomy

Functional Ontology

Not Available

Physical Properties

State

Expected Solid

Predicted Properties

Not Available

Spectra

Not Available

Biological Properties

Cellular Locations

Extracellular
Membrane

Biospecimen Locations

All Tissues
Blood
Cerebrospinal Fluid (CSF)
Feces
Placenta
Saliva
Urine

Tissue Locations

All Tissues
Placenta

Associated OMIM IDs

114500 (Colorectal cancer)
610247 (Eosinophilic esophagitis)

Human Proteins and Enzymes

Proteins

#<MetaboliteProteinLink:0x00007f092017b350>

Human Pathways

Pathways

Name	SMPDB/PathBank

Metabolic Reactions

Reaction ID	Precursor	Product	Enzyme	Reaction Type	Data Source	Reference

Health Effects and Bioactivity

Health Outcome/Bioactivity	Metabolite Response/Effect	Related Health Condition	Evidence Type	Measured in Matrix	Reference
Obesity	Decreased	This associated disease is originally imported from HMDB metabolite HMDB0010169 concentration id 139803	Association	Human Urine	26910390	details
Eosinophilic esophagitis	Slight Decrease	This associated disease is originally imported from HMDB metabolite HMDB0010169 concentration id 97953	Association	Human Urine	Slae, M., Huynh, H., Wishart, D.S. (2014). Analysis of 30 normal pediatric urine samples via NMR spectroscopy (unpublished work)	details
Obesity		This associated disease is originally imported from HMDB metabolite HMDB0010169 concentration id 141336	Association	Human Blood	Metabolomics reveals determinants of weight loss during lifestyle intervention in obese children	details
Obesity		This associated disease is originally imported from HMDB metabolite HMDB0010169 concentration id 141337	Association	Human Blood	Metabolomics reveals determinants of weight loss during lifestyle intervention in obese children	details

Microbial Sources

Kingdom	Phylum	Total species	Hosts and Body Sites	Microbial Links
	Bacteroidetes	2	Human Feces	Indirect association between microbiota composition and metabolites measured in host biospecimen
	Firmicutes	3		Indirect association between microbiota composition and metabolites measured in host biospecimen

Exposure Sources

Source Type	Source Sub-type	Species	Data Source	Reference	Details

Host Biospecimen and Location

Host and Biospecimen	Status	Mean	Std	Min	Max	Age	Sex	Health Condition	Data Source	Reference
Human Feces	Detected but not Quantified								HMDB		details
Human	Detected and Quantified	6.94	0.42			Adolescent (13-18 years old)	Both	Obese	HMDB	26910390	details
Human	Detected and Quantified	0.01		0.0016	0.07	Adult (>18 years old)	Both	Normal	HMDB	24023812	details
Human	Detected and Quantified	0.336	0.109			Adult (>18 years old)	Not Specified	Normal	HMDB	22546835	details
Human	Detected and Quantified	114.4	19.7			Adult (>18 years old)	Both	Normal	HMDB	28278231	details
Human	Detected and Quantified	121		101	139	Infant (0-1 year old)		Normal	HMDB	25754623	details
Human	Detected and Quantified	69.9		61	79.4	Newborn (0-30 days old)		Normal	HMDB	25754623	details
Human	Detected and Quantified	8.92	0.59			Adolescent (13-18 years old)	Both	Normal	HMDB	26910390	details
Human	Detected and Quantified	81	0.9			Adult (>18 years old)	Both	Normal	HMDB	20671299	details
Human	Detected and Quantified	0.0194	0.0383			Children (1 - 13 years old)	Not Specified	Eosinophilic esophagitis	HMDB	Analysis of 30 normal pediatric urine samples via NMR spectroscopy (unpublished work)	details
Human	Detected and Quantified	79.1	20.6			Children (1-13 years old)	Both	Obesity	HMDB	Metabolomics reveals determinants of weight loss during lifestyle intervention in obese children	details
Human	Detected and Quantified	86.1	23.2			Children (1-13 years old)	Both	Obesity	HMDB	Metabolomics reveals determinants of weight loss during lifestyle intervention in obese children	details
Human	Detected and Quantified	0.0203	0.0374			Children (1 - 13 years old)	Not Specified	Normal	HMDB	Analysis of 30 normal pediatric urine samples via NMR spectroscopy (unpublished work)	details
Human	Detected and Quantified	0.282	0.145			Adult (>18 years old)	Both	Normal	HMDB	Zerihun T. Dame, Farid Aziat, Rupasri Mandal, Ram Krishnamurthy, Souhaila Bouatra, Shima Borzouie, An Chi Guo, Tanvir Sajed, Lu Deng, Hong Lin, Philip Liu, Edison Dong, David S. Wishart "The human saliva metabolome" Metabolomics (2015) DOI 10.1007/s11306-015-0840-5	details
Human	Detected and Quantified			60.00	190.0	Adult (>18 years old)	Both	Normal	HMDB	Molecular You (https://molecularyou.com)	details
Human All Tissues	Detected but not Quantified					Not Specified	Not Specified	Normal	HMDB	34986597	details
Human Placenta	Detected but not Quantified					Not Specified	Not Specified	Normal	HMDB	34986597	details
Human Feces	Detected but not Quantified					Adult (>18 years old)	Both	Normal	HMDB	25037050	details
Human Feces	Detected but not Quantified					Adult (>18 years old)	Both	Normal	HMDB	27543620	details
Human Feces	Detected but not Quantified					Adult (>18 years old)	Both	Normal	HMDB	29808030	details

External Links

Not Available

References

Synthesis Reference

Not Available

General References

Divecha N, Irvine RF: Phospholipid signaling. Cell. 1995 Jan 27;80(2):269-78. doi: 10.1016/0092-8674(95)90409-3. [PubMed:7834746 ]
Hannun YA: The sphingomyelin cycle and the second messenger function of ceramide. J Biol Chem. 1994 Feb 4;269(5):3125-8. [PubMed:8106344 ]
Ghosh S, Strum JC, Bell RM: Lipid biochemistry: functions of glycerolipids and sphingolipids in cellular signaling. FASEB J. 1997 Jan;11(1):45-50. doi: 10.1096/fasebj.11.1.9034165. [PubMed:9034165 ]
Simons K, Toomre D: Lipid rafts and signal transduction. Nat Rev Mol Cell Biol. 2000 Oct;1(1):31-9. doi: 10.1038/35036052. [PubMed:11413487 ]
Watson AD: Thematic review series: systems biology approaches to metabolic and cardiovascular disorders. Lipidomics: a global approach to lipid analysis in biological systems. J Lipid Res. 2006 Oct;47(10):2101-11. doi: 10.1194/jlr.R600022-JLR200. Epub 2006 Aug 10. [PubMed:16902246 ]
Sethi JK, Vidal-Puig AJ: Thematic review series: adipocyte biology. Adipose tissue function and plasticity orchestrate nutritional adaptation. J Lipid Res. 2007 Jun;48(6):1253-62. doi: 10.1194/jlr.R700005-JLR200. Epub 2007 Mar 20. [PubMed:17374880 ]
Lingwood D, Simons K: Lipid rafts as a membrane-organizing principle. Science. 2010 Jan 1;327(5961):46-50. doi: 10.1126/science.1174621. [PubMed:20044567 ]
de Jong A, Cheng TY, Huang S, Gras S, Birkinshaw RW, Kasmar AG, Van Rhijn I, Pena-Cruz V, Ruan DT, Altman JD, Rossjohn J, Moody DB: CD1a-autoreactive T cells recognize natural skin oils that function as headless antigens. Nat Immunol. 2014 Feb;15(2):177-85. doi: 10.1038/ni.2790. Epub 2013 Dec 22. [PubMed:24362891 ]
Elshenawy S, Pinney SE, Stuart T, Doulias PT, Zura G, Parry S, Elovitz MA, Bennett MJ, Bansal A, Strauss JF 3rd, Ischiropoulos H, Simmons RA: The Metabolomic Signature of the Placenta in Spontaneous Preterm Birth. Int J Mol Sci. 2020 Feb 4;21(3). pii: ijms21031043. doi: 10.3390/ijms21031043. [PubMed:32033212 ]
Cevc, Gregor (1993). Phospholipids Handbook. Marcel Dekker.
Gunstone, Frank D., John L. Harwood, and Albert J. Dijkstra (2007). The lipid handbook with CD-ROM. CRC Press.

Showing metabocard for Palmitoyl sphingomyelin (MMDBc0000686)

MOL for #<Metabolite:0x000055b76de37bd0>

3D MOL for #<Metabolite:0x000055b76de37bd0>

3D SDF for #<Metabolite:0x000055b76de37bd0>

3D-SDF for #<Metabolite:0x000055b76de37bd0>

PDB for #<Metabolite:0x000055b76de37bd0>

3D PDB for #<Metabolite:0x000055b76de37bd0>

SMILES for #<Metabolite:0x000055b76de37bd0>

INCHI for #<Metabolite:0x000055b76de37bd0>

Structure for #<Metabolite:0x000055b76de37bd0>

3D Structure for #<Metabolite:0x000055b76de37bd0>