SM(d18:2/20:1) (CHEBI:176979)

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CHEBI:176979 - SM(d18:2/20:1)

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ChEBI ID	CHEBI:176979
ChEBI Name	SM(d18:2/20:1)
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C43H83N2O6P
Net Charge	0
Average Mass	755.119
Monoisotopic Mass	754.59888
SMILES	CCC/C=C\CCCCCCCC/C=C/[C@@H](O)[C@H](COP(=O)([O-])OCC[N+](C)(C)C)NC(=O)CCCCCCCCC/C=C\CCCCCCCC
InChI	InChI=1S/C43H83N2O6P/c1-6-8-10-12-14-16-18-20-21-22-23-25-27-29-31-33-35-37-43(47)44-41(40-51-52(48,49)50-39-38-45(3,4)5)42(46)36-34-32-30-28-26-24-19-17-15-13-11-9-7-2/h11,13,20-21,34,36,41-42,46H,6-10,12,14-19,22-33,35,37-40H2,1-5H3,(H-,44,47,48,49)/b13-11-,21-20-,36-34+/t41-,42+/m0/s1
InChIKey	FQFXBCWLAYNXID-OZGPODLMSA-N

Species of Metabolite	Component	Source	Comments
Homo sapiens (ncbitaxon:9606)	blood serum (BTO:0000133)	Article

ChEBI Ontology

Outgoing Relation(s)
	SM(d18:2/20:1) (CHEBI:176979) is a phosphocholines (CHEBI:36700)

IUPAC Name
[(2S,3R,4E,14Z)-3-hydroxy-2-[[(Z)-icos-11-enoyl]amino]octadeca-4,14-dienyl] 2-(trimethylazaniumyl)ethyl phosphate

Manual Xrefs	Databases
LMSP03010057	LIPID MAPS