2-Amino-9-methyl-4,8,10-octadecatriene-1,3-diol; (2S,3R,4E,8E,10E)-form, N-(2R-Hydroxy-15Z-tetracosenoyl), 1-O-β-D-glucopyranoside 

AlkaPlorer ID: AK286421

Synonym: None

IUPAC Name: None

Structure

SMILES: CCCCCCC/C=C/C(C)=C/CC/C=C/C(O)C(COC1OC(CO)C(O)C(O)C1O)NC(=O)C(O)CCCCCCCCCCCC/C=C/CCCCCCCC

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InChI: InChI=1S/C49H89NO9/c1-4-6-8-10-12-13-14-15-16-17-18-19-20-21-22-23-24-26-28-32-37-43(53)48(57)50-41(39-58-49-47(56)46(55)45(54)44(38-51)59-49)42(52)36-33-29-31-35-40(3)34-30-27-25-11-9-7-5-2/h15-16,30,33-36,41-47,49,51-56H,4-14,17-29,31-32,37-39H2,1-3H3,(H,50,57)/b16-15+,34-30+,36-33+,40-35+

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InChIKey: VAAQFMQVXNJSMT-HBGOSNFRSA-N

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Reference

CAS: 457645-50-0

Properties Information

Molecule Weight: 836.2489999999989

TPSA: 168.94

MolLogP: 9.196900000000005

Number of H-Donors: 7

Number of H-Acceptors: 9

RingCount: 1

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information