(Q120300989)

English

1-(9S,13S-12-oxo-11,15Z-phytodienoyl)-2-(7Z,10Z,13Z-hexadecatrienoyl)-3-O-(beta-D-galactosyl)-sn-glycerol

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

chemical compound

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mass

760.4761629959999 dalton

1 reference

based on heuristic

inferred from isomeric SMILES

stereoisomer of

1-(9S,13S,12-oxophytodienoyl)-2-(7Z,10Z,13Z)-hexadecatrienoyl-3-(beta-D-galactosyl)-sn-glycerol

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

[(2R)-1-[8-[(1R,5S)-4-oxo-5-[(Z)-pent-2-enyl]cyclopent-2-en-1-yl]octanoyloxy]-3-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropan-2-yl] (7Z,10Z,13Z)-hexadeca-7,10,13-trienoate

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

[(2R)-1-[8-[(1S,5S)-4-oxo-5-[(Z)-pent-2-enyl]cyclopent-2-en-1-yl]octanoyloxy]-3-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropan-2-yl] (7Z,10Z,13Z)-hexadeca-7,10,13-trienoate

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₄₃H₆₈O₁₁

1 reference

based on heuristic

inferred from SMILES

canonical SMILES

CCC=CCC=CCC=CCCCCCC(=O)OC(COC(=O)CCCCCCCC1C=CC(=O)C1CC=CCC)COC1OC(CO)C(O)C(O)C1O

1 reference

based on heuristic

inferred from isomeric SMILES

isomeric SMILES

C(O[C@]([H])(COC(CCCCCCC[C@@H]1[C@H](C/C=C\CC)C(=O)C=C1)=O)CO[C@H]1[C@H](O)[C@H](O)[C@@H](O)[C@@H](CO)O1)(CCCCC/C=C\C/C=C\C/C=C\CC)=O

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Identifiers

InChI

InChI=1S/C43H68O11/c1-3-5-7-8-9-10-11-12-13-14-15-18-23-27-39(47)53-34(32-52-43-42(50)41(49)40(48)37(30-44)54-43)31-51-38(46)26-22-19-16-17-21-24-33-28-29-36(45)35(33)25-20-6-4-2/h5-7,9-10,12-13,20,28-29,33-35,37,40-44,48-50H,3-4,8,11,14-19,21-27,30-32H2,1-2H3/b7-5-,10-9-,13-12-,20-6-/t33-,34+,35-,37+,40-,41+,42+,43+/m0/s1

1 reference

based on heuristic

inferred from SMILES

InChIKey

CWRWJDAEKWYUJT-ZXZOLKJDSA-N

1 reference

0 references

(Q120300989)

1-(9S,13S-12-oxo-11,15Z-phytodienoyl)-2-(7Z,10Z,13Z-hexadecatrienoyl)-3-O-(beta-D-galactosyl)-sn-glycerol

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