SM(d17:1/20:5(5Z,8Z,11Z,14Z,16E)-OH(18R)) (CHEBI:230962)

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CHEBI:230962 - SM(d17:1/20:5(5Z,8Z,11Z,14Z,16E)-OH(18R))

Default Structure

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ChEBI ID	CHEBI:230962
ChEBI Name	SM(d17:1/20:5(5Z,8Z,11Z,14Z,16E)-OH(18R))
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C42H75N2O7P
Net Charge	0
Average Mass	751.043
Monoisotopic Mass	750.53119
SMILES	CCCCCCCCCCCC/C=C/[C@@H](O)[C@H](COP(=O)([O-])OCC[N+](C)(C)C)NC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\C=C\[C@H](O)CC
InChI	InChI=1S/C42H75N2O7P/c1-6-8-9-10-11-12-13-19-22-25-28-31-34-41(46)40(38-51-52(48,49)50-37-36-44(3,4)5)43-42(47)35-32-29-26-23-20-17-15-14-16-18-21-24-27-30-33-39(45)7-2/h15-18,23-24,26-27,30-31,33-34,39-41,45-46H,6-14,19-22,25,28-29,32,35-38H2,1-5H3,(H-,43,47,48,49)/b17-15-,18-16-,26-23-,27-24-,33-30+,34-31+/t39-,40+,41-/m1/s1
InChIKey	CNSFJYSSXVPYAW-WBCOZXAFSA-N

Species of Metabolite	Component	Source	Comments
Mus musculus (ncbitaxon:10090)	feces (BTO:0000440)	MetaboLights (MTBLS9100)

ChEBI Ontology

Outgoing Relation(s)
	SM(d17:1/20:5(5Z,8Z,11Z,14Z,16E)-OH(18R)) (CHEBI:230962) is a organic molecular entity (CHEBI:50860)

IUPAC Name
[(E,2S,3R)-3-hydroxy-2-[[(5Z,8Z,11Z,14Z,16E,18R)-18-hydroxyicosa-5,8,11,14,16-pentaenoyl]amino]heptadec-4-enyl] 2-(trimethylazaniumyl)ethyl phosphate

Manual Xrefs	Databases
HMDB0290378	HMDB