(Q104975163)

English

2-hydroxy-N-[(2S,3R,4E,8E)-3-hydroxy-1-{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}octadeca-4,8-dien-2-yl]icosanimidic acid

group of stereoisomers with the chemical formula C₄₄H₈₃NO₉

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instance of

group of stereoisomers

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subclass of

chemical compound

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mass

769.606783236 dalton

1 reference

based on heuristic

inferred from isomeric SMILES

chemical formula

C₄₄H₈₃NO₉

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canonical SMILES

CCCCCCCCCC=CCCC=CC(O)C(COC1OC(CO)C(O)C(O)C1O)NC(=O)C(O)CCCCCCCCCCCCCCCCCC

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isomeric SMILES

CCCCCCCCC/C=C/CC/C=C/[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)NC(=O)C(O)CCCCCCCCCCCCCCCCCC

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Identifiers

InChI

InChI=1S/C44H83NO9/c1-3-5-7-9-11-13-15-17-18-19-21-23-25-27-29-31-33-38(48)43(52)45-36(35-53-44-42(51)41(50)40(49)39(34-46)54-44)37(47)32-30-28-26-24-22-20-16-14-12-10-8-6-4-2/h22,24,30,32,36-42,44,46-51H,3-21,23,25-29,31,33-35H2,1-2H3,(H,45,52)/b24-22+,32-30+/t36-,37+,38?,39+,40+,41-,42+,44+/m0/s1

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InChIKey

DCBUKXJYPRDHOR-GHGJWGTDSA-N

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PubChem CID

6915884

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

DCBUKXJYPRDHOR-GHGJWGTDSA-N

ChEBI ID

229076

mapping relation type

exact match

1 reference

matched by identifier from

International Chemical Identifier

InChI

InChI=1S/C44H83NO9/c1-3-5-7-9-11-13-15-17-18-19-21-23-25-27-29-31-33-38(48)43(52)45-36(35-53-44-42(51)41(50)40(49)39(34-46)54-44)37(47)32-30-28-26-24-22-20-16-14-12-10-8-6-4-2/h22,24,30,32,36-42,44,46-51H,3-21,23,25-29,31,33-35H2,1-2H3,(H,45,52)/b24-22+,32-30+/t36-,37+,38?,39+,40+,41-,42+,44+/m0/s1

(Q104975163)

2-hydroxy-N-[(2S,3R,4E,8E)-3-hydroxy-1-{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}octadeca-4,8-dien-2-yl]icosanimidic acid

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