(2R,3S,4Z)-2-aminooctadec-4-ene-1,3-diol (CHEBI:45719)

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CHEBI:45719 - (2R,3S,4Z)-2-aminooctadec-4-ene-1,3-diol

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ChEBI Name	(2R,3S,4Z)-2-aminooctadec-4-ene-1,3-diol

ChEBI ID	CHEBI:45719

ChEBI ASCII Name	(2R,3S,4Z)-2-aminooctadec-4-ene-1,3-diol

Stars	This entity has been manually annotated by the ChEBI Team.

Supplier Information	eMolecules:976824, ZINC000001996369

Download	Molfile XML SDF

more structures >>

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M END): 23 ms

reading 58 atoms

ModelSet: haveSymmetry:false haveUnitcells:false haveFractionalCoord:false

1 model in this collection. Use getProperty "modelInfo" or getProperty "auxiliaryInfo" to inspect them.

Default Van der Waals type for model set to Babel

58 atoms created

ModelSet: not autobonding; use forceAutobond=true to force automatic bond creation

Script completed

Jmol script terminated

Molfile expand

Formula

C18H37NO2

Net Charge

Average Mass

299.49192

Monoisotopic Mass

299.28243

InChI

InChI=1S/C18H37NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(21)17(19)16-20/h14-15,17-18,20-21H,2-13,16,19H2,1H3/b15-14-/t17-,18+/m1/s1

InChIKey

WWUZIQQURGPMPG-BXDGKWANSA-N

SMILES

CCCCCCCCCCCCC\C=C/[C@H](O)[C@H](N)CO

Roles Classification
Chemical Role(s):	Bronsted base A molecular entity capable of accepting a hydron from a donor (Bronsted acid). (via organic amino compound )

View more via ChEBI Ontology

ChEBI Ontology
Outgoing	(2R,3S,4Z)-2-aminooctadec-4-ene-1,3-diol (CHEBI:45719) is a (2R,3S)-2-aminooctadec-4-ene-1,3-diol (CHEBI:46965) (2R,3S,4Z)-2-aminooctadec-4-ene-1,3-diol (CHEBI:45719) is enantiomer of cis-sphingosine (CHEBI:46962)

Incoming	cis-sphingosine (CHEBI:46962) is enantiomer of (2R,3S,4Z)-2-aminooctadec-4-ene-1,3-diol (CHEBI:45719)

IUPAC Name

(2R,3S,4Z)-2-aminooctadec-4-ene-1,3-diol

Synonym	Source
SPHINGOSINE	PDBeChem

Manual Xref	Database
SPH	PDBeChem
View more database links

Last Modified

16 May 2008

CHEBI:45719 - (2R,3S,4Z)-2-aminooctadec-4-ene-1,3-diol

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