2-Amino-4-nonadecene-1,3-diol; (2S,3R,4E)-form, N-Hexadecanoyl 

AlkaPlorer ID: AK286625

Synonym: None

IUPAC Name: N-[(E)-1,3-dihydroxynonadec-4-en-2-yl]hexadecanamide

Structure

SMILES: CCCCCCCCCCCCCC/C=C/C(O)C(CO)NC(=O)CCCCCCCCCCCCCCC

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InChI: InChI=1S/C35H69NO3/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-34(38)33(32-37)36-35(39)31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h28,30,33-34,37-38H,3-27,29,31-32H2,1-2H3,(H,36,39)/b30-28+

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InChIKey: FZEKPDCSIPDAMC-SJCQXOIGSA-N

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Reference

PubChem CID: 138157469

CAS: 352518-70-8

Properties Information

Molecule Weight: 551.9410000000004

TPSA: 69.56

MolLogP: 9.9531

Number of H-Donors: 3

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
AKRT008886 CCCCCCCCCCCCCC/C=C/C(O)C(CO)NC(=O)CCCCCCCCCCCCCCC>>CCCCCCCCCCCCCC/C=C/C(OP(=O)(O)O)C(CO)NC(=O)CCCCCCCCCCCCCCC enzymemap_43418