2-Aminoethanesulfonic acid; N-Hexadecanoyl 

AlkaPlorer ID: AK093294

Synonym: N-Hexadecanoyltaurine, N-Palmitoyltaurine 

IUPAC Name: 2-(hexadecanoylamino)ethanesulfonic acid

Structure

SMILES: CCCCCCCCCCCCCCCC(O)=NCCS(=O)(=O)O

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InChI: InChI=1S/C18H37NO4S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(20)19-16-17-24(21,22)23/h2-17H2,1H3,(H,19,20)(H,21,22,23)

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InChIKey: LPDJCYFKKSLKRO-UHFFFAOYSA-N

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Reference

PubChem CID: 14504290

CAS: 83982-06-3

SuperNatural Ⅲ: SN0211598

NPASS: NPC167373

COCONUT: CNP0257132

Properties Information

Molecule Weight: 363.5640000000001

TPSA: 86.96000000000001

MolLogP: 5.312000000000004

Number of H-Donors: 2

Number of H-Acceptors: 3

RingCount: 0

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information

AKRT ID Reaction Reaction Link ID
AKRT009068 CCCCCCCCCCCCCCCC(=O)[CoA].NCCS(=O)(=O)O>>CCCCCCCCCCCCCCCC(=O)NCCS(=O)(=O)O 50108