2-Amino-14-methyl-4-hexadecene-1,3-diol; (2S,3R,4E,14S)-form, N-(2R-Hydroxydocosanoyl), 1-O-β-D-glucopyranoside 

AlkaPlorer ID: AK286311

Synonym: None

IUPAC Name: None

Structure

SMILES: CCCCCCCCCCCCCCCCCCCCC(O)C(=O)NC(COC1OC(CO)C(O)C(O)C1O)C(O)/C=C/CCCCCCCCC(C)CC

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InChI: InChI=1S/C45H87NO9/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-24-27-30-33-39(49)44(53)46-37(35-54-45-43(52)42(51)41(50)40(34-47)55-45)38(48)32-29-26-23-21-20-22-25-28-31-36(3)5-2/h29,32,36-43,45,47-52H,4-28,30-31,33-35H2,1-3H3,(H,46,53)/b32-29+

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InChIKey: ROTYLZZYYWCXHR-UUDCSCGESA-N

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Reference

CAS: 153821-87-5

Properties Information

Molecule Weight: 786.1889999999997

TPSA: 168.94

MolLogP: 8.164400000000013

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