2-amino-14,16-dimethyloctadecan-3-ol (CHEBI:168138)

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CHEBI:168138 - 2-amino-14,16-dimethyloctadecan-3-ol

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ChEBI ID	CHEBI:168138
ChEBI Name	2-amino-14,16-dimethyloctadecan-3-ol
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C20H43NO
Net Charge	0
Average Mass	313.570
Monoisotopic Mass	313.33446
SMILES	CCC(C)CC(C)CCCCCCCCCCC(O)C(C)N
InChI	InChI=1S/C20H43NO/c1-5-17(2)16-18(3)14-12-10-8-6-7-9-11-13-15-20(22)19(4)21/h17-20,22H,5-16,21H2,1-4H3
InChIKey	PRIXJBFEYXJGPF-UHFFFAOYSA-N

Species of Metabolite	Component	Source	Comments
Malus domestica (ncbitaxon:3750)	exocarp (BTO:0000733)	MetaboLights (MTBLS2384)	Strain: Malus x domestica Borkh. cv. Ruixue

Roles Classification

Bronsted base A molecular entity capable of accepting a hydron from a donor (Brønsted acid).

ChEBI Ontology

Outgoing Relation(s)
	2-amino-14,16-dimethyloctadecan-3-ol (CHEBI:168138) is a amino alcohol (CHEBI:22478)

IUPAC Name
2-amino-14,16-dimethyloctadecan-3-ol

Manual Xrefs	Databases
8412115	ChemSpider
LMSP01080031	LIPID MAPS

Registry Numbers	Sources
CAS:540770-33-0	ChemIDplus