(Q105143299)

English

(9E)-N-(3,4,12-trihydroxy-1-{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}octadecan-2-yl)hexadec-9-enimidic acid

group of stereoisomers with the chemical formula C₄₀H₇₇NO₁₀

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instance of

group of stereoisomers

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subclass of

chemical compound

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mass

731.5547476639998 dalton

1 reference

based on heuristic

inferred from isomeric SMILES

chemical formula

C₄₀H₇₇NO₁₀

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canonical SMILES

CCCCCCC=CCCCCCCCC(=O)NC(COC1OC(CO)C(O)C(O)C1O)C(O)C(O)CCCCCCCC(O)CCCCCC

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isomeric SMILES

CCCCCC/C=C/CCCCCCCC(=O)NC(CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C(O)C(O)CCCCCCCC(O)CCCCCC

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Identifiers

InChI

InChI=1S/C40H77NO10/c1-3-5-7-9-10-11-12-13-14-15-16-20-24-28-35(45)41-32(30-50-40-39(49)38(48)37(47)34(29-42)51-40)36(46)33(44)27-23-19-17-18-22-26-31(43)25-21-8-6-4-2/h11-12,31-34,36-40,42-44,46-49H,3-10,13-30H2,1-2H3,(H,41,45)/b12-11+/t31?,32?,33?,34-,36?,37-,38+,39-,40-/m1/s1

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InChIKey

KNARYUCFPVYOGC-BBBSYOMNSA-N

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PubChem CID

11136363

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

KNARYUCFPVYOGC-BBBSYOMNSA-N

1 reference

(Q105143299)

(9E)-N-(3,4,12-trihydroxy-1-{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}octadecan-2-yl)hexadec-9-enimidic acid

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