Record Information
Version1.0
StatusDetected and Quantified
Creation Date2021-11-17 23:49:30 UTC
Update Date2022-08-31 17:38:23 UTC
Metabolite IDMMDBc0029986
Metabolite Identification
Common Name2,3,2',3'-Tetrakis(3-hydroxytetradecanoyl)-D-glucosaminyl-1,6-beta-D-glucosamine 1-phosphate
Description2,3,2',3'-tetrakis(3-hydroxytetradecanoyl)-D-glucosaminyl-1,6-beta-D-glucosamine 1-phosphate is a member of the chemical class known as Dihexoses. These are disaccharides containing two hexose carbohydrates.
Structure
SynonymsNot Available
Molecular FormulaC68H129N2O20P
Average Mass1325.727
Monoisotopic Mass1324.88763109
IUPAC NameN-[(2R,3R,4R,5S,6R)-2-{[(2R,3S,4R,5R,6S)-5-[(1,3-dihydroxytetradecylidene)amino]-3-hydroxy-4-[(3-hydroxytetradecanoyl)oxy]-6-(phosphonooxy)oxan-2-yl]methoxy}-5-hydroxy-6-(hydroxymethyl)-4-[(3-hydroxytetradecanoyl)oxy]oxan-3-yl]-3-hydroxytetradecanimidic acid
Traditional NameN-[(2R,3R,4R,5S,6R)-2-{[(2R,3S,4R,5R,6S)-5-[(1,3-dihydroxytetradecylidene)amino]-3-hydroxy-4-[(3-hydroxytetradecanoyl)oxy]-6-(phosphonooxy)oxan-2-yl]methoxy}-5-hydroxy-6-(hydroxymethyl)-4-[(3-hydroxytetradecanoyl)oxy]oxan-3-yl]-3-hydroxytetradecanimidic acid
CAS Registry NumberNot Available
SMILES
[H]C(O)(CCCCCCCCCCC)CC(=O)O[C@@]1([H])[C@]([H])(O)[C@@]([H])(CO)O[C@@]([H])(OC[C@@]2([H])O[C@@]([H])(OP(O)(O)=O)[C@]([H])(N=C(O)CC([H])(O)CCCCCCCCCCC)[C@@]([H])(OC(=O)CC([H])(O)CCCCCCCCCCC)[C@]2([H])O)[C@]1([H])N=C(O)CC([H])(O)CCCCCCCCCCC
InChI Identifier
InChI=1S/C68H129N2O20P/c1-5-9-13-17-21-25-29-33-37-41-51(72)45-57(76)69-61-65(88-59(78)47-53(74)43-39-35-31-27-23-19-15-11-7-3)63(80)55(49-71)86-67(61)85-50-56-64(81)66(89-60(79)48-54(75)44-40-36-32-28-24-20-16-12-8-4)62(68(87-56)90-91(82,83)84)70-58(77)46-52(73)42-38-34-30-26-22-18-14-10-6-2/h51-56,61-68,71-75,80-81H,5-50H2,1-4H3,(H,69,76)(H,70,77)(H2,82,83,84)/t51?,52?,53?,54?,55-,56-,61-,62-,63-,64-,65-,66-,67-,68+/m1/s1
InChI KeyHLDJGHAAKRKPAV-XFXUPMIZSA-N